REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2iuf_1_A DATA FIRST_RESID 2 DATA SEQUENCE QQFLSQFYLN DQDVYLTSNV GGPIQDENSL SAGQRGATLL QDFIFREKIQ DATA SEQUENCE RFDHERVPER AVHARGTGAH GTFTSYGDWS NLTAASFLSA EGKETPMFTR DATA SEQUENCE FSTVAGSRGS ADTARDVHGF ATRFYTDEGN FDIVGNNIPV FFIQDAILFP DATA SEQUENCE DLIHAVKPRG DNQIPQAATA HDSAWDFFSQ QPSVLHTLLW AXAGHGIPRS DATA SEQUENCE FRHVNGFGVH TFRLVTDDGK TKLVKFHWKG LQGKASFVWE EAQQTAGKNA DATA SEQUENCE DFXRQDLFQS IQAGRFPEWE LGVQIMQEQD QLKFGFDLLD PTKIVPEELV DATA SEQUENCE PVTILGKMQL NRNPXNYFAE TEQVMFQPGH IVRGVDFTED PLLQGRLFSY DATA SEQUENCE LDTQLNRHGG PNFEQLPINR PRAPIHNNNR DGAGQMFIPL DPNAYSPNTE DATA SEQUENCE NKGSPKQANE TVGKGFFTAP ERTASGKLQR TLSTTFENNW SQPRLFWNSL DATA SEQUENCE VNAQKEFIVD AXRFETSNVS SSVVRDDVII QLNRISDNLA TRVASAIGVE DATA SEQUENCE APKPNSSFYH DNTTAHIGAF GEKLAKLDGL KVGLLASVNK PASIAQGAKL DATA SEQUENCE QVALSSVGVD VVVVAERXAN NVDETYSASD AVQFDAVVVA DGAEGLFGAD DATA SEQUENCE SFTVEPSAGS GASTLYPAGR PLNILLDAFR FGKTVGALGS GSDALESGQI DATA SEQUENCE SSERQGVYTG KNAGDAFAKD IKSGLSTFKF LDRFAVDE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.931 176.000 -0.114 0.000 1.003 2 Q CA 0.000 55.756 55.803 -0.079 0.000 1.022 2 Q CB 0.000 28.715 28.738 -0.038 0.000 1.108 3 Q N 0.225 119.980 119.800 -0.075 0.000 2.082 3 Q HA -0.247 4.092 4.340 -0.002 0.000 0.211 3 Q C 1.518 177.438 176.000 -0.133 0.000 1.002 3 Q CA 2.309 58.055 55.803 -0.095 0.000 0.868 3 Q CB -0.224 28.492 28.738 -0.035 0.000 0.931 3 Q HN 0.438 nan 8.270 nan 0.000 0.414 4 F N 0.601 120.448 119.950 -0.173 0.000 2.051 4 F HA -0.185 4.341 4.527 -0.002 0.000 0.296 4 F C 1.907 177.608 175.800 -0.165 0.000 1.122 4 F CA 1.621 59.530 58.000 -0.152 0.000 1.201 4 F CB -0.271 38.659 39.000 -0.118 0.000 0.978 4 F HN 0.076 nan 8.300 nan 0.000 0.472 5 L N 0.059 121.224 121.223 -0.097 0.000 2.291 5 L HA -0.139 4.200 4.340 -0.002 0.000 0.214 5 L C 2.539 179.064 176.870 -0.575 0.000 1.120 5 L CA 1.077 55.860 54.840 -0.095 0.000 0.799 5 L CB -0.832 41.266 42.059 0.064 0.000 0.925 5 L HN 0.325 nan 8.230 nan 0.000 0.446 6 S N -0.113 115.044 115.700 -0.905 0.000 2.474 6 S HA -0.236 4.233 4.470 -0.002 0.000 0.235 6 S C 1.861 175.938 174.600 -0.871 0.000 0.997 6 S CA 0.882 58.207 58.200 -1.459 0.000 0.949 6 S CB -0.410 62.287 63.200 -0.839 0.000 0.766 6 S HN 0.665 nan 8.310 nan 0.000 0.517 7 Q N -0.048 119.265 119.800 -0.812 0.000 2.364 7 Q HA -0.056 4.283 4.340 -0.002 0.000 0.209 7 Q C 0.808 176.320 176.000 -0.813 0.000 0.977 7 Q CA 1.123 56.420 55.803 -0.843 0.000 0.885 7 Q CB -0.639 27.452 28.738 -1.078 0.000 0.941 7 Q HN 0.685 nan 8.270 nan 0.000 0.464 8 F N -0.871 118.914 119.950 -0.275 0.000 2.678 8 F HA 0.275 4.801 4.527 -0.002 0.000 0.305 8 F C -0.013 175.837 175.800 0.084 0.000 1.090 8 F CA -0.946 56.994 58.000 -0.100 0.000 1.272 8 F CB 0.233 39.172 39.000 -0.103 0.000 1.060 8 F HN -0.097 nan 8.300 nan 0.000 0.576 9 Y N 2.277 122.598 120.300 0.035 0.000 2.511 9 Y HA 0.257 4.806 4.550 -0.002 0.000 0.332 9 Y C 0.305 176.217 175.900 0.020 0.000 1.177 9 Y CA -1.111 57.007 58.100 0.031 0.000 1.422 9 Y CB 0.011 38.472 38.460 0.001 0.000 1.271 9 Y HN -0.145 nan 8.280 nan 0.000 0.550 10 L N 4.800 126.129 121.223 0.176 0.000 2.294 10 L HA 0.316 4.655 4.340 -0.002 0.000 0.283 10 L C 0.183 177.090 176.870 0.062 0.000 1.015 10 L CA -0.598 54.301 54.840 0.098 0.000 0.831 10 L CB 0.999 43.104 42.059 0.075 0.000 1.217 10 L HN 0.547 nan 8.230 nan 0.000 0.420 11 N N 2.605 121.339 118.700 0.056 0.000 2.414 11 N HA 0.118 4.857 4.740 -0.002 0.000 0.256 11 N C -0.723 174.799 175.510 0.020 0.000 1.029 11 N CA -0.177 52.892 53.050 0.033 0.000 0.948 11 N CB 1.372 39.882 38.487 0.039 0.000 1.102 11 N HN 0.494 nan 8.380 nan 0.000 0.496 12 D N 2.378 122.784 120.400 0.010 0.000 2.643 12 D HA 0.115 4.753 4.640 -0.002 0.000 0.244 12 D C -0.274 176.021 176.300 -0.010 0.000 1.257 12 D CA 0.006 54.008 54.000 0.003 0.000 0.831 12 D CB 0.416 41.221 40.800 0.007 0.000 1.043 12 D HN 0.522 nan 8.370 nan 0.000 0.488 13 Q N 0.700 120.494 119.800 -0.011 0.000 2.279 13 Q HA 0.175 4.514 4.340 -0.002 0.000 0.256 13 Q C -0.278 175.698 176.000 -0.039 0.000 0.937 13 Q CA -0.407 55.384 55.803 -0.020 0.000 0.933 13 Q CB 1.075 29.806 28.738 -0.011 0.000 1.189 13 Q HN -0.030 nan 8.270 nan 0.000 0.417 14 D N 0.996 121.360 120.400 -0.059 0.000 2.735 14 D HA -0.162 4.477 4.640 -0.002 0.000 0.235 14 D C -1.375 174.841 176.300 -0.139 0.000 1.175 14 D CA 0.705 54.646 54.000 -0.098 0.000 0.683 14 D CB -0.680 40.075 40.800 -0.075 0.000 1.008 14 D HN 0.331 nan 8.370 nan 0.000 0.416 15 V N -1.744 118.076 119.914 -0.156 0.000 3.130 15 V HA 0.724 4.843 4.120 -0.002 0.000 0.310 15 V C -0.150 175.815 176.094 -0.215 0.000 1.158 15 V CA -1.197 61.009 62.300 -0.157 0.000 1.029 15 V CB 1.519 33.319 31.823 -0.040 0.000 1.057 15 V HN -0.002 nan 8.190 nan 0.000 0.436 16 Y N 1.334 121.641 120.300 0.011 0.000 2.309 16 Y HA 0.594 5.143 4.550 -0.002 0.000 0.327 16 Y C 0.332 176.239 175.900 0.012 0.000 1.172 16 Y CA -0.538 57.569 58.100 0.011 0.000 1.280 16 Y CB 1.252 39.719 38.460 0.012 0.000 1.234 16 Y HN 0.719 nan 8.280 nan 0.000 0.512 17 L N 3.585 124.922 121.223 0.189 0.000 2.490 17 L HA 0.249 4.588 4.340 -0.002 0.000 0.274 17 L C 0.386 177.315 176.870 0.099 0.000 1.201 17 L CA 0.540 55.444 54.840 0.107 0.000 0.869 17 L CB 0.089 42.196 42.059 0.080 0.000 1.123 17 L HN 0.854 nan 8.230 nan 0.000 0.484 18 T N 0.738 115.335 114.554 0.073 0.000 2.896 18 T HA 0.659 5.008 4.350 -0.002 0.000 0.297 18 T C 0.023 174.758 174.700 0.058 0.000 1.108 18 T CA -0.216 61.924 62.100 0.067 0.000 1.004 18 T CB 1.205 70.113 68.868 0.067 0.000 1.159 18 T HN 0.790 nan 8.240 nan 0.000 0.499 19 S N 1.509 117.253 115.700 0.073 0.000 2.617 19 S HA 0.173 4.642 4.470 -0.002 0.000 0.255 19 S C 0.874 175.510 174.600 0.060 0.000 1.318 19 S CA -0.467 57.780 58.200 0.078 0.000 0.978 19 S CB -0.191 63.091 63.200 0.137 0.000 0.961 19 S HN 0.711 nan 8.310 nan 0.000 0.582 20 N N -0.000 118.732 118.700 0.053 0.000 2.550 20 N HA 0.002 4.741 4.740 -0.002 0.000 0.186 20 N C 0.971 176.502 175.510 0.035 0.000 1.110 20 N CA 0.923 53.996 53.050 0.038 0.000 0.912 20 N CB -0.290 38.213 38.487 0.027 0.000 0.968 20 N HN 0.649 nan 8.380 nan 0.000 0.448 21 V N -4.452 115.487 119.914 0.043 0.000 3.085 21 V HA 0.580 4.699 4.120 -0.002 0.000 0.345 21 V C 1.055 177.169 176.094 0.034 0.000 1.397 21 V CA -0.036 62.282 62.300 0.030 0.000 1.165 21 V CB 0.024 31.859 31.823 0.019 0.000 1.153 21 V HN 0.118 nan 8.190 nan 0.000 0.495 22 G N -0.148 108.677 108.800 0.043 0.000 2.143 22 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.248 22 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.248 22 G C 0.542 175.470 174.900 0.047 0.000 0.991 22 G CA -0.024 45.102 45.100 0.042 0.000 0.689 22 G HN 1.589 nan 8.290 nan 0.000 0.522 23 G N 0.338 109.175 108.800 0.063 0.000 2.333 23 G HA2 0.609 4.568 3.960 -0.002 0.000 0.290 23 G HA3 0.609 4.568 3.960 -0.002 0.000 0.290 23 G C -2.068 172.877 174.900 0.075 0.000 1.150 23 G CA -1.027 44.117 45.100 0.074 0.000 0.895 23 G HN 0.192 nan 8.290 nan 0.000 0.444 24 P HA 0.268 nan 4.420 nan 0.000 0.268 24 P C 0.074 177.397 177.300 0.038 0.000 1.204 24 P CA 0.086 63.208 63.100 0.035 0.000 0.768 24 P CB 0.808 32.496 31.700 -0.020 0.000 0.842 25 I N -0.664 119.926 120.570 0.034 0.000 3.191 25 I HA 0.594 4.763 4.170 -0.002 0.000 0.313 25 I C -1.050 175.072 176.117 0.008 0.000 1.193 25 I CA -1.478 59.830 61.300 0.013 0.000 0.968 25 I CB 2.243 40.241 38.000 -0.003 0.000 1.262 25 I HN 0.283 nan 8.210 nan 0.000 0.456 26 Q N 1.069 120.860 119.800 -0.014 0.000 2.297 26 Q HA 0.555 4.894 4.340 -0.002 0.000 0.268 26 Q C -1.415 174.567 176.000 -0.030 0.000 1.045 26 Q CA -0.645 55.152 55.803 -0.009 0.000 0.861 26 Q CB 2.468 31.201 28.738 -0.007 0.000 1.344 26 Q HN 0.764 nan 8.270 nan 0.000 0.452 27 D N 0.085 120.473 120.400 -0.019 0.000 2.712 27 D HA 0.065 4.704 4.640 -0.002 0.000 0.300 27 D C -0.144 176.148 176.300 -0.014 0.000 1.521 27 D CA -0.174 53.810 54.000 -0.028 0.000 0.790 27 D CB 0.353 41.133 40.800 -0.033 0.000 1.155 27 D HN 0.558 nan 8.370 nan 0.000 0.456 28 E N 0.130 120.326 120.200 -0.007 0.000 2.447 28 E HA 0.166 4.515 4.350 -0.002 0.000 0.204 28 E C -0.124 176.479 176.600 0.005 0.000 0.977 28 E CA 0.161 56.560 56.400 -0.002 0.000 0.950 28 E CB 0.689 30.387 29.700 -0.003 0.000 0.975 28 E HN 0.257 nan 8.360 nan 0.000 0.496 29 N N 0.610 119.313 118.700 0.005 0.000 2.295 29 N HA 0.205 4.944 4.740 -0.002 0.000 0.293 29 N C -0.872 174.641 175.510 0.005 0.000 1.040 29 N CA -0.198 52.853 53.050 0.002 0.000 0.840 29 N CB 2.138 40.619 38.487 -0.010 0.000 1.468 29 N HN -0.207 nan 8.380 nan 0.000 0.478 30 S N 1.096 116.795 115.700 -0.001 0.000 2.579 30 S HA 0.108 4.577 4.470 -0.002 0.000 0.275 30 S C 0.383 174.947 174.600 -0.061 0.000 1.345 30 S CA -0.451 57.723 58.200 -0.043 0.000 1.031 30 S CB 0.523 63.623 63.200 -0.167 0.000 0.892 30 S HN 0.385 nan 8.310 nan 0.000 0.529 31 L N 3.742 124.924 121.223 -0.067 0.000 2.361 31 L HA 0.365 4.704 4.340 -0.002 0.000 0.278 31 L C 0.185 177.016 176.870 -0.066 0.000 1.113 31 L CA 0.532 55.340 54.840 -0.053 0.000 0.849 31 L CB 0.069 42.106 42.059 -0.037 0.000 1.155 31 L HN 0.726 nan 8.230 nan 0.000 0.452 32 S N 3.686 119.356 115.700 -0.050 0.000 2.599 32 S HA 0.868 5.337 4.470 -0.002 0.000 0.294 32 S C -0.384 174.196 174.600 -0.034 0.000 1.094 32 S CA -0.509 57.660 58.200 -0.051 0.000 0.931 32 S CB 1.629 64.798 63.200 -0.052 0.000 1.093 32 S HN 0.946 nan 8.310 nan 0.000 0.488 33 A N 1.408 124.208 122.820 -0.032 0.000 2.666 33 A HA 0.711 5.030 4.320 -0.002 0.000 0.312 33 A C 1.139 178.710 177.584 -0.021 0.000 1.471 33 A CA 0.147 52.170 52.037 -0.023 0.000 1.134 33 A CB -1.509 17.478 19.000 -0.022 0.000 1.129 33 A HN 2.400 nan 8.150 nan 0.000 0.539 34 G N 1.012 109.802 108.800 -0.018 0.000 2.796 34 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.571 34 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.571 34 G C 0.576 175.464 174.900 -0.019 0.000 1.370 34 G CA 0.286 45.376 45.100 -0.016 0.000 0.856 34 G HN 0.850 nan 8.290 nan 0.000 0.538 35 Q N -0.487 119.304 119.800 -0.016 0.000 2.084 35 Q HA -0.023 4.316 4.340 -0.002 0.000 0.202 35 Q C 2.093 178.081 176.000 -0.020 0.000 0.978 35 Q CA 1.741 57.534 55.803 -0.017 0.000 0.844 35 Q CB -0.030 28.700 28.738 -0.013 0.000 0.898 35 Q HN 0.536 nan 8.270 nan 0.000 0.426 36 R N -0.262 120.226 120.500 -0.020 0.000 2.700 36 R HA 0.274 4.613 4.340 -0.002 0.000 0.377 36 R C -0.126 176.158 176.300 -0.026 0.000 1.130 36 R CA -0.142 55.944 56.100 -0.022 0.000 1.055 36 R CB 1.251 31.540 30.300 -0.018 0.000 1.387 36 R HN 0.091 nan 8.270 nan 0.000 0.580 37 G N 0.119 108.901 108.800 -0.030 0.000 2.522 37 G HA2 0.537 4.496 3.960 -0.002 0.000 0.304 37 G HA3 0.537 4.496 3.960 -0.002 0.000 0.304 37 G C -0.271 174.602 174.900 -0.045 0.000 1.210 37 G CA -0.538 44.542 45.100 -0.033 0.000 0.960 37 G HN 0.258 nan 8.290 nan 0.000 0.497 38 A N -0.262 122.531 122.820 -0.046 0.000 2.425 38 A HA 0.522 4.841 4.320 -0.002 0.000 0.242 38 A C 0.869 178.406 177.584 -0.079 0.000 1.077 38 A CA 0.090 52.091 52.037 -0.060 0.000 0.781 38 A CB -0.088 18.883 19.000 -0.048 0.000 1.020 38 A HN 0.639 nan 8.150 nan 0.000 0.494 39 T N 2.687 117.171 114.554 -0.116 0.000 2.884 39 T HA 0.378 4.727 4.350 -0.002 0.000 0.298 39 T C 0.234 174.860 174.700 -0.123 0.000 0.998 39 T CA 0.091 62.094 62.100 -0.161 0.000 1.124 39 T CB 0.056 68.749 68.868 -0.292 0.000 0.931 39 T HN 0.388 nan 8.240 nan 0.000 0.531 40 L N 3.759 124.924 121.223 -0.097 0.000 2.326 40 L HA 0.252 4.591 4.340 -0.002 0.000 0.278 40 L C 1.522 178.371 176.870 -0.036 0.000 1.092 40 L CA -0.658 54.152 54.840 -0.051 0.000 0.810 40 L CB 0.759 42.804 42.059 -0.022 0.000 1.153 40 L HN 0.558 nan 8.230 nan 0.000 0.439 41 L N 3.004 124.223 121.223 -0.006 0.000 2.191 41 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 41 L C 2.433 179.345 176.870 0.071 0.000 1.103 41 L CA 1.705 56.563 54.840 0.030 0.000 0.769 41 L CB -0.476 41.602 42.059 0.032 0.000 0.908 41 L HN 0.819 nan 8.230 nan 0.000 0.438 42 Q N -1.429 118.412 119.800 0.069 0.000 2.515 42 Q HA -0.130 4.209 4.340 -0.002 0.000 0.212 42 Q C 0.251 176.356 176.000 0.175 0.000 0.970 42 Q CA 0.532 56.405 55.803 0.116 0.000 0.941 42 Q CB -0.538 28.256 28.738 0.093 0.000 0.998 42 Q HN 0.343 nan 8.270 nan 0.000 0.518 43 D N 1.208 121.675 120.400 0.112 0.000 2.489 43 D HA -0.043 4.596 4.640 -0.002 0.000 0.237 43 D C 0.279 176.652 176.300 0.122 0.000 1.212 43 D CA -0.497 53.547 54.000 0.073 0.000 1.058 43 D CB -0.131 40.682 40.800 0.022 0.000 1.098 43 D HN 0.408 nan 8.370 nan 0.000 0.509 44 F N 1.764 121.765 119.950 0.085 0.000 2.407 44 F HA 0.039 4.565 4.527 -0.002 0.000 0.299 44 F C 1.622 177.465 175.800 0.072 0.000 1.097 44 F CA 0.209 58.254 58.000 0.074 0.000 1.422 44 F CB -0.627 38.399 39.000 0.043 0.000 1.067 44 F HN 0.182 nan 8.300 nan 0.000 0.539 45 I N -0.236 119.881 120.570 -0.756 0.000 2.202 45 I HA -0.205 3.964 4.170 -0.002 0.000 0.242 45 I C 2.488 178.508 176.117 -0.163 0.000 1.091 45 I CA 1.487 62.482 61.300 -0.508 0.000 1.368 45 I CB -0.649 37.023 38.000 -0.547 0.000 1.058 45 I HN 0.218 nan 8.210 nan 0.000 0.410 46 F N 2.089 121.932 119.950 -0.179 0.000 2.043 46 F HA -0.282 4.244 4.527 -0.001 0.000 0.297 46 F C 2.750 178.532 175.800 -0.031 0.000 1.121 46 F CA 1.846 59.796 58.000 -0.084 0.000 1.199 46 F CB -0.297 38.663 39.000 -0.067 0.000 0.968 46 F HN -0.161 nan 8.300 nan 0.000 0.478 47 R N 0.005 120.555 120.500 0.084 0.000 2.075 47 R HA -0.174 4.165 4.340 -0.002 0.000 0.232 47 R C 2.146 178.414 176.300 -0.054 0.000 1.126 47 R CA 1.617 57.734 56.100 0.027 0.000 0.963 47 R CB -0.513 29.898 30.300 0.185 0.000 0.858 47 R HN 0.519 nan 8.270 nan 0.000 0.435 48 E N 1.135 121.332 120.200 -0.005 0.000 2.110 48 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 48 E C 1.752 178.322 176.600 -0.050 0.000 0.988 48 E CA 1.387 57.789 56.400 0.003 0.000 0.804 48 E CB -0.186 29.553 29.700 0.065 0.000 0.745 48 E HN 0.175 nan 8.360 nan 0.000 0.458 49 K N 0.262 120.593 120.400 -0.116 0.000 2.025 49 K HA -0.081 4.238 4.320 -0.002 0.000 0.207 49 K C 1.911 178.429 176.600 -0.137 0.000 1.049 49 K CA 1.547 57.757 56.287 -0.129 0.000 0.933 49 K CB -0.041 32.354 32.500 -0.175 0.000 0.714 49 K HN 0.143 nan 8.250 nan 0.000 0.438 50 I N 1.385 121.777 120.570 -0.297 0.000 2.500 50 I HA -0.170 3.999 4.170 -0.002 0.000 0.252 50 I C 2.500 178.619 176.117 0.003 0.000 1.142 50 I CA 1.150 62.317 61.300 -0.222 0.000 1.451 50 I CB -1.108 36.561 38.000 -0.553 0.000 1.093 50 I HN 0.427 nan 8.210 nan 0.000 0.430 51 Q N 0.889 120.687 119.800 -0.005 0.000 2.050 51 Q HA -0.200 4.139 4.340 -0.002 0.000 0.202 51 Q C 2.388 178.469 176.000 0.135 0.000 0.980 51 Q CA 1.472 57.337 55.803 0.105 0.000 0.840 51 Q CB 0.081 28.845 28.738 0.045 0.000 0.898 51 Q HN 0.241 nan 8.270 nan 0.000 0.424 52 R N -0.089 120.442 120.500 0.052 0.000 2.083 52 R HA -0.171 4.168 4.340 -0.002 0.000 0.237 52 R C 2.126 178.450 176.300 0.041 0.000 1.137 52 R CA 1.450 57.570 56.100 0.033 0.000 0.951 52 R CB -1.112 29.195 30.300 0.011 0.000 0.851 52 R HN 0.377 nan 8.270 nan 0.000 0.434 53 F N 2.454 122.376 119.950 -0.047 0.000 2.102 53 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 53 F C 1.653 177.423 175.800 -0.050 0.000 1.105 53 F CA 1.709 59.671 58.000 -0.063 0.000 1.239 53 F CB -0.232 38.717 39.000 -0.085 0.000 0.991 53 F HN -0.028 nan 8.300 nan 0.000 0.474 54 D N -1.167 119.216 120.400 -0.029 0.000 2.263 54 D HA -0.159 4.480 4.640 -0.002 0.000 0.208 54 D C 1.438 177.527 176.300 -0.352 0.000 0.971 54 D CA 1.316 55.222 54.000 -0.155 0.000 0.867 54 D CB -0.419 40.368 40.800 -0.022 0.000 0.929 54 D HN 0.525 nan 8.370 nan 0.000 0.492 55 H N -0.331 118.630 119.070 -0.182 0.000 2.528 55 H HA 0.196 4.751 4.556 -0.002 0.000 0.282 55 H C 1.058 176.268 175.328 -0.196 0.000 1.097 55 H CA -0.081 55.876 56.048 -0.151 0.000 1.121 55 H CB 0.697 30.404 29.762 -0.092 0.000 1.590 55 H HN 0.263 nan 8.280 nan 0.000 0.553 56 E N 0.847 120.905 120.200 -0.237 0.000 2.153 56 E HA -0.074 4.275 4.350 -0.002 0.000 0.194 56 E C 0.565 177.008 176.600 -0.263 0.000 0.988 56 E CA 0.648 56.863 56.400 -0.309 0.000 0.811 56 E CB 0.374 29.817 29.700 -0.430 0.000 0.746 56 E HN 0.201 nan 8.360 nan 0.000 0.466 57 R N 0.959 121.352 120.500 -0.180 0.000 2.490 57 R HA 0.222 4.561 4.340 -0.002 0.000 0.278 57 R C 0.193 176.513 176.300 0.034 0.000 1.069 57 R CA -0.208 55.855 56.100 -0.062 0.000 1.080 57 R CB 1.074 31.327 30.300 -0.079 0.000 1.030 57 R HN -0.033 nan 8.270 nan 0.000 0.491 58 V N -0.734 119.260 119.914 0.133 0.000 3.046 58 V HA 0.628 4.747 4.120 -0.002 0.000 0.316 58 V C -2.400 173.743 176.094 0.081 0.000 1.104 58 V CA -2.685 59.688 62.300 0.121 0.000 1.006 58 V CB 1.650 33.584 31.823 0.185 0.000 1.058 58 V HN 0.526 nan 8.190 nan 0.000 0.440 59 P HA 0.190 nan 4.420 nan 0.000 0.265 59 P C -0.189 177.134 177.300 0.038 0.000 1.193 59 P CA 0.033 63.152 63.100 0.032 0.000 0.765 59 P CB 0.233 31.942 31.700 0.015 0.000 0.823 60 E N 3.060 123.285 120.200 0.041 0.000 2.408 60 E HA 0.087 4.435 4.350 -0.002 0.000 0.259 60 E C -0.462 176.156 176.600 0.031 0.000 1.110 60 E CA -0.644 55.785 56.400 0.048 0.000 0.929 60 E CB 0.542 30.276 29.700 0.056 0.000 0.971 60 E HN 0.276 nan 8.360 nan 0.000 0.438 61 R N 0.579 121.101 120.500 0.037 0.000 2.640 61 R HA 0.047 4.386 4.340 -0.002 0.000 0.270 61 R C 1.065 177.388 176.300 0.037 0.000 1.024 61 R CA 0.497 56.613 56.100 0.025 0.000 1.085 61 R CB 0.392 30.722 30.300 0.049 0.000 0.963 61 R HN 0.768 nan 8.270 nan 0.000 0.426 62 A N 3.041 125.874 122.820 0.021 0.000 1.972 62 A HA -0.054 4.264 4.320 -0.002 0.000 0.219 62 A C 0.813 178.437 177.584 0.067 0.000 1.169 62 A CA 1.467 53.525 52.037 0.036 0.000 0.635 62 A CB -0.169 18.848 19.000 0.028 0.000 0.810 62 A HN 0.489 nan 8.150 nan 0.000 0.446 63 V N -7.238 112.748 119.914 0.120 0.000 3.130 63 V HA 0.562 4.681 4.120 -0.002 0.000 0.310 63 V C 0.224 176.474 176.094 0.260 0.000 1.158 63 V CA -0.614 61.789 62.300 0.171 0.000 1.029 63 V CB 1.099 33.103 31.823 0.300 0.000 1.057 63 V HN 0.499 nan 8.190 nan 0.000 0.436 64 H N 0.244 119.364 119.070 0.083 0.000 2.862 64 H HA -0.223 4.331 4.556 -0.002 0.000 0.290 64 H C 1.552 176.919 175.328 0.065 0.000 1.211 64 H CA 0.774 56.867 56.048 0.074 0.000 1.140 64 H CB -1.242 28.555 29.762 0.058 0.000 1.341 64 H HN 1.208 nan 8.280 nan 0.000 0.392 65 A N 0.757 123.660 122.820 0.138 0.000 1.978 65 A HA -0.129 4.190 4.320 -0.002 0.000 0.220 65 A C 1.732 179.396 177.584 0.133 0.000 1.170 65 A CA 1.466 53.572 52.037 0.116 0.000 0.636 65 A CB -0.085 18.965 19.000 0.083 0.000 0.810 65 A HN 0.257 nan 8.150 nan 0.000 0.448 66 R N 0.095 120.677 120.500 0.138 0.000 2.204 66 R HA 0.517 4.856 4.340 -0.002 0.000 0.341 66 R C -0.104 176.317 176.300 0.201 0.000 1.035 66 R CA 0.693 56.891 56.100 0.164 0.000 0.887 66 R CB 0.212 30.601 30.300 0.148 0.000 1.114 66 R HN 0.376 nan 8.270 nan 0.000 0.473 67 G N 1.043 109.974 108.800 0.217 0.000 2.623 67 G HA2 0.522 4.481 3.960 -0.002 0.000 0.290 67 G HA3 0.522 4.481 3.960 -0.002 0.000 0.290 67 G C -1.517 173.504 174.900 0.202 0.000 1.437 67 G CA -0.591 44.614 45.100 0.175 0.000 0.798 67 G HN 0.444 nan 8.290 nan 0.000 0.488 68 T N -0.875 113.712 114.554 0.056 0.000 2.909 68 T HA 0.786 5.135 4.350 -0.002 0.000 0.299 68 T C 0.013 174.644 174.700 -0.115 0.000 1.073 68 T CA -0.234 61.929 62.100 0.105 0.000 0.999 68 T CB 2.075 71.080 68.868 0.227 0.000 1.098 68 T HN 1.162 nan 8.240 nan 0.000 0.477 69 G N -0.065 108.662 108.800 -0.122 0.000 2.498 69 G HA2 0.822 4.781 3.960 -0.002 0.000 0.312 69 G HA3 0.822 4.781 3.960 -0.002 0.000 0.312 69 G C -1.508 173.130 174.900 -0.438 0.000 1.230 69 G CA -0.907 43.923 45.100 -0.451 0.000 0.968 69 G HN 1.041 nan 8.290 nan 0.000 0.481 70 A N 0.609 122.905 122.820 -0.872 0.000 2.574 70 A HA 0.710 5.029 4.320 -0.002 0.000 0.297 70 A C -0.867 176.302 177.584 -0.692 0.000 1.062 70 A CA -0.768 50.973 52.037 -0.493 0.000 0.686 70 A CB 1.059 19.947 19.000 -0.188 0.000 1.285 70 A HN 0.731 nan 8.150 nan 0.000 0.403 71 H N 0.047 119.067 119.070 -0.084 0.000 2.551 71 H HA 0.643 5.198 4.556 -0.002 0.000 0.358 71 H C 0.699 175.988 175.328 -0.065 0.000 1.151 71 H CA 1.123 57.204 56.048 0.056 0.000 1.374 71 H CB 1.728 31.584 29.762 0.156 0.000 1.473 71 H HN 1.114 nan 8.280 nan 0.000 0.574 72 G N 0.104 108.961 108.800 0.094 0.000 2.570 72 G HA2 0.366 4.325 3.960 -0.002 0.000 0.310 72 G HA3 0.366 4.325 3.960 -0.002 0.000 0.310 72 G C -1.323 173.613 174.900 0.060 0.000 1.266 72 G CA -0.501 44.604 45.100 0.009 0.000 0.825 72 G HN 0.536 nan 8.290 nan 0.000 0.483 73 T N -0.046 114.548 114.554 0.068 0.000 2.909 73 T HA 0.592 4.940 4.350 -0.002 0.000 0.299 73 T C -1.807 173.040 174.700 0.243 0.000 1.073 73 T CA -0.245 61.941 62.100 0.142 0.000 0.999 73 T CB 2.069 70.995 68.868 0.096 0.000 1.098 73 T HN 0.545 nan 8.240 nan 0.000 0.477 74 F N 1.878 121.935 119.950 0.178 0.000 2.480 74 F HA 0.660 5.186 4.527 -0.002 0.000 0.329 74 F C -0.367 175.597 175.800 0.274 0.000 1.091 74 F CA -0.395 57.776 58.000 0.285 0.000 0.972 74 F CB 1.756 41.045 39.000 0.482 0.000 1.150 74 F HN 0.451 nan 8.300 nan 0.000 0.467 75 T N 3.839 118.036 114.554 -0.594 0.000 2.847 75 T HA 0.251 4.600 4.350 -0.002 0.000 0.291 75 T C -0.574 173.727 174.700 -0.665 0.000 0.998 75 T CA -0.589 61.295 62.100 -0.358 0.000 0.967 75 T CB 1.240 70.067 68.868 -0.067 0.000 0.954 75 T HN 0.618 nan 8.240 nan 0.000 0.441 76 S N 1.886 117.474 115.700 -0.188 0.000 2.549 76 S HA 0.181 4.650 4.470 -0.002 0.000 0.279 76 S C 0.393 175.140 174.600 0.245 0.000 1.321 76 S CA -0.358 57.894 58.200 0.087 0.000 1.054 76 S CB 0.140 63.526 63.200 0.309 0.000 0.899 76 S HN 0.590 nan 8.310 nan 0.000 0.497 77 Y N 3.207 123.653 120.300 0.243 0.000 2.511 77 Y HA 0.343 4.891 4.550 -0.002 0.000 0.279 77 Y C 1.409 177.348 175.900 0.064 0.000 1.157 77 Y CA 0.027 58.236 58.100 0.180 0.000 1.300 77 Y CB -0.357 38.252 38.460 0.250 0.000 1.052 77 Y HN 0.756 nan 8.280 nan 0.000 0.529 78 G N -1.098 107.781 108.800 0.132 0.000 2.608 78 G HA2 0.220 4.179 3.960 -0.002 0.000 0.291 78 G HA3 0.220 4.179 3.960 -0.002 0.000 0.291 78 G C -1.931 172.664 174.900 -0.507 0.000 1.425 78 G CA -0.794 44.035 45.100 -0.451 0.000 0.787 78 G HN -0.134 nan 8.290 nan 0.000 0.484 79 D N -0.164 119.932 120.400 -0.507 0.000 2.411 79 D HA 0.199 4.838 4.640 -0.002 0.000 0.225 79 D C -0.197 175.856 176.300 -0.412 0.000 1.156 79 D CA -0.684 53.131 54.000 -0.309 0.000 0.874 79 D CB 0.525 41.213 40.800 -0.187 0.000 1.034 79 D HN 0.363 nan 8.370 nan 0.000 0.502 80 W N 2.433 123.705 121.300 -0.047 0.000 3.391 80 W HA 0.061 4.720 4.660 -0.002 0.000 0.372 80 W C 2.164 178.642 176.519 -0.068 0.000 1.171 80 W CA -0.256 57.053 57.345 -0.059 0.000 1.862 80 W CB 0.023 29.428 29.460 -0.093 0.000 1.048 80 W HN 0.428 nan 8.180 nan 0.000 0.726 81 S N -0.322 115.416 115.700 0.063 0.000 2.469 81 S HA -0.205 4.264 4.470 -0.002 0.000 0.238 81 S C 1.464 176.087 174.600 0.039 0.000 0.998 81 S CA 1.154 59.376 58.200 0.036 0.000 0.957 81 S CB -0.279 62.923 63.200 0.003 0.000 0.764 81 S HN 0.262 nan 8.310 nan 0.000 0.514 82 N N 0.698 119.426 118.700 0.048 0.000 2.461 82 N HA 0.191 4.930 4.740 -0.002 0.000 0.188 82 N C 1.088 176.637 175.510 0.065 0.000 1.134 82 N CA 0.344 53.420 53.050 0.044 0.000 0.878 82 N CB 0.218 38.723 38.487 0.031 0.000 0.972 82 N HN 0.427 nan 8.380 nan 0.000 0.456 83 L N -1.379 119.903 121.223 0.098 0.000 2.526 83 L HA 0.311 4.650 4.340 -0.002 0.000 0.210 83 L C 0.320 177.198 176.870 0.013 0.000 1.048 83 L CA 0.948 55.833 54.840 0.075 0.000 0.852 83 L CB 0.345 42.489 42.059 0.141 0.000 1.128 83 L HN -0.098 nan 8.230 nan 0.000 0.482 84 T N -1.821 112.742 114.554 0.014 0.000 2.932 84 T HA 0.552 4.901 4.350 -0.002 0.000 0.318 84 T C 0.157 174.831 174.700 -0.043 0.000 1.265 84 T CA -0.085 61.984 62.100 -0.052 0.000 1.036 84 T CB 1.576 70.371 68.868 -0.123 0.000 1.209 84 T HN 0.142 nan 8.240 nan 0.000 0.484 85 A N 2.430 125.214 122.820 -0.060 0.000 2.238 85 A HA 0.644 4.963 4.320 -0.002 0.000 0.208 85 A C 1.326 178.869 177.584 -0.069 0.000 1.177 85 A CA 0.550 52.567 52.037 -0.033 0.000 0.804 85 A CB -0.725 18.285 19.000 0.016 0.000 0.823 85 A HN 1.268 nan 8.150 nan 0.000 0.482 86 A N 0.132 122.867 122.820 -0.141 0.000 2.548 86 A HA 0.328 4.647 4.320 -0.002 0.000 0.247 86 A C 1.501 179.009 177.584 -0.127 0.000 1.067 86 A CA 0.624 52.556 52.037 -0.177 0.000 0.757 86 A CB 0.005 18.796 19.000 -0.349 0.000 0.996 86 A HN 0.468 nan 8.150 nan 0.000 0.504 87 S N 2.075 117.772 115.700 -0.004 0.000 2.382 87 S HA -0.182 4.286 4.470 -0.002 0.000 0.228 87 S C 1.547 176.201 174.600 0.089 0.000 1.027 87 S CA 2.071 60.299 58.200 0.047 0.000 0.991 87 S CB -0.600 62.650 63.200 0.082 0.000 0.823 87 S HN 1.151 nan 8.310 nan 0.000 0.469 88 F N 0.609 120.550 119.950 -0.015 0.000 2.546 88 F HA 0.306 4.832 4.527 -0.002 0.000 0.298 88 F C 1.038 176.926 175.800 0.147 0.000 1.120 88 F CA 0.491 58.524 58.000 0.055 0.000 1.456 88 F CB -0.351 38.637 39.000 -0.021 0.000 1.088 88 F HN 0.121 nan 8.300 nan 0.000 0.572 89 L N 0.789 121.743 121.223 -0.448 0.000 2.965 89 L HA 0.212 4.551 4.340 -0.002 0.000 0.254 89 L C 1.771 178.672 176.870 0.052 0.000 1.220 89 L CA 0.322 55.040 54.840 -0.204 0.000 1.023 89 L CB -0.139 41.652 42.059 -0.446 0.000 1.355 89 L HN 0.312 nan 8.230 nan 0.000 0.545 90 S N -0.899 114.817 115.700 0.026 0.000 2.558 90 S HA 0.403 4.872 4.470 -0.002 0.000 0.217 90 S C 0.699 175.306 174.600 0.011 0.000 0.975 90 S CA 0.157 58.369 58.200 0.020 0.000 0.912 90 S CB 0.355 63.567 63.200 0.020 0.000 0.776 90 S HN 0.235 nan 8.310 nan 0.000 0.526 91 A N 0.757 123.597 122.820 0.033 0.000 2.589 91 A HA 0.593 4.912 4.320 -0.002 0.000 0.296 91 A C -0.848 176.754 177.584 0.029 0.000 1.062 91 A CA -0.720 51.321 52.037 0.007 0.000 0.686 91 A CB 0.885 19.898 19.000 0.022 0.000 1.282 91 A HN 0.307 nan 8.150 nan 0.000 0.404 92 E N 0.660 120.853 120.200 -0.012 0.000 2.366 92 E HA 0.382 4.731 4.350 -0.002 0.000 0.266 92 E C 1.200 177.832 176.600 0.054 0.000 1.015 92 E CA 1.256 57.667 56.400 0.018 0.000 0.906 92 E CB 0.171 29.854 29.700 -0.028 0.000 0.979 92 E HN 2.012 nan 8.360 nan 0.000 0.443 93 G N 4.173 113.030 108.800 0.095 0.000 2.176 93 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.253 93 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.253 93 G C 0.304 175.263 174.900 0.099 0.000 0.979 93 G CA 0.360 45.514 45.100 0.089 0.000 0.641 93 G HN 0.591 nan 8.290 nan 0.000 0.530 94 K N 1.322 121.794 120.400 0.119 0.000 2.451 94 K HA 0.390 4.709 4.320 -0.002 0.000 0.280 94 K C 0.163 176.882 176.600 0.198 0.000 1.020 94 K CA 0.360 56.737 56.287 0.150 0.000 1.008 94 K CB 0.181 32.782 32.500 0.168 0.000 0.917 94 K HN 0.422 nan 8.250 nan 0.000 0.478 95 E N 2.302 122.619 120.200 0.195 0.000 2.212 95 E HA 0.283 4.632 4.350 -0.002 0.000 0.268 95 E C -1.154 175.611 176.600 0.275 0.000 0.902 95 E CA -0.856 55.679 56.400 0.224 0.000 0.779 95 E CB 2.251 32.041 29.700 0.150 0.000 1.172 95 E HN 0.508 nan 8.360 nan 0.000 0.409 96 T N 3.277 118.051 114.554 0.366 0.000 2.921 96 T HA 0.361 4.710 4.350 -0.002 0.000 0.297 96 T C -2.654 172.233 174.700 0.312 0.000 1.013 96 T CA -1.573 60.739 62.100 0.352 0.000 0.990 96 T CB 1.788 70.934 68.868 0.464 0.000 1.023 96 T HN 0.181 nan 8.240 nan 0.000 0.447 97 P HA 0.380 nan 4.420 nan 0.000 0.272 97 P C -0.701 176.795 177.300 0.326 0.000 1.223 97 P CA -0.282 62.959 63.100 0.235 0.000 0.784 97 P CB 0.515 32.294 31.700 0.133 0.000 0.923 98 M N 1.159 120.917 119.600 0.264 0.000 2.631 98 M HA 0.546 5.025 4.480 -0.002 0.000 0.288 98 M C -1.205 175.251 176.300 0.261 0.000 1.260 98 M CA -0.602 54.775 55.300 0.129 0.000 0.842 98 M CB 2.418 34.922 32.600 -0.159 0.000 1.743 98 M HN 0.189 nan 8.290 nan 0.000 0.461 99 F N 0.108 120.011 119.950 -0.078 0.000 2.561 99 F HA 0.656 5.182 4.527 -0.002 0.000 0.313 99 F C -1.156 174.480 175.800 -0.273 0.000 1.126 99 F CA -0.128 57.770 58.000 -0.170 0.000 0.918 99 F CB 1.999 40.923 39.000 -0.127 0.000 1.199 99 F HN 0.440 nan 8.300 nan 0.000 0.444 100 T N 5.745 119.746 114.554 -0.922 0.000 2.861 100 T HA 0.509 4.858 4.350 -0.002 0.000 0.287 100 T C -1.207 172.816 174.700 -1.129 0.000 1.003 100 T CA -0.696 60.828 62.100 -0.960 0.000 0.977 100 T CB 1.777 69.942 68.868 -1.172 0.000 0.996 100 T HN 0.664 nan 8.240 nan 0.000 0.448 101 R N 2.188 122.125 120.500 -0.938 0.000 2.561 101 R HA 0.643 4.982 4.340 -0.002 0.000 0.297 101 R C -1.547 174.173 176.300 -0.967 0.000 0.969 101 R CA -0.582 55.054 56.100 -0.772 0.000 0.879 101 R CB 0.833 30.997 30.300 -0.228 0.000 1.178 101 R HN 0.443 nan 8.270 nan 0.000 0.445 102 F N 1.385 120.920 119.950 -0.692 0.000 2.483 102 F HA 0.607 5.133 4.527 -0.002 0.000 0.329 102 F C 0.303 175.806 175.800 -0.494 0.000 1.064 102 F CA -0.255 57.276 58.000 -0.781 0.000 0.986 102 F CB 2.240 40.298 39.000 -1.570 0.000 1.218 102 F HN 0.641 nan 8.300 nan 0.000 0.484 103 S N -1.461 114.283 115.700 0.074 0.000 2.611 103 S HA 0.614 5.083 4.470 -0.002 0.000 0.268 103 S C -0.642 174.163 174.600 0.341 0.000 1.156 103 S CA -0.815 57.529 58.200 0.240 0.000 0.817 103 S CB 1.148 64.496 63.200 0.246 0.000 1.122 103 S HN 0.759 nan 8.310 nan 0.000 0.466 104 T N -1.193 113.486 114.554 0.209 0.000 2.865 104 T HA 0.678 5.027 4.350 -0.002 0.000 0.302 104 T C 0.905 175.507 174.700 -0.162 0.000 1.078 104 T CA 0.034 62.115 62.100 -0.031 0.000 0.942 104 T CB 0.167 69.031 68.868 -0.007 0.000 1.387 104 T HN 0.714 nan 8.240 nan 0.000 0.557 105 V N -0.365 119.405 119.914 -0.240 0.000 2.948 105 V HA 0.339 4.458 4.120 -0.002 0.000 0.234 105 V C 2.757 178.759 176.094 -0.153 0.000 1.205 105 V CA 0.700 62.763 62.300 -0.396 0.000 1.234 105 V CB -0.856 30.781 31.823 -0.309 0.000 1.020 105 V HN 1.002 nan 8.190 nan 0.000 0.491 106 A N 0.598 123.375 122.820 -0.072 0.000 1.903 106 A HA 0.355 4.674 4.320 -0.002 0.000 0.213 106 A C 1.589 179.172 177.584 -0.002 0.000 1.185 106 A CA 1.069 53.087 52.037 -0.032 0.000 0.628 106 A CB -0.880 18.118 19.000 -0.004 0.000 0.830 106 A HN 0.551 nan 8.150 nan 0.000 0.446 107 G N -0.137 108.675 108.800 0.019 0.000 2.527 107 G HA2 0.419 4.378 3.960 -0.002 0.000 0.248 107 G HA3 0.419 4.378 3.960 -0.002 0.000 0.248 107 G C 0.153 175.077 174.900 0.041 0.000 1.231 107 G CA 0.142 45.265 45.100 0.038 0.000 0.838 107 G HN 0.270 nan 8.290 nan 0.000 0.570 108 S N -0.801 114.922 115.700 0.038 0.000 2.641 108 S HA 0.122 4.591 4.470 -0.002 0.000 0.261 108 S C 1.877 176.512 174.600 0.060 0.000 1.257 108 S CA -0.398 57.827 58.200 0.042 0.000 0.983 108 S CB 0.776 63.994 63.200 0.029 0.000 0.990 108 S HN 0.736 nan 8.310 nan 0.000 0.572 109 R N -0.007 120.532 120.500 0.065 0.000 2.369 109 R HA 0.058 4.397 4.340 -0.002 0.000 0.200 109 R C 0.921 177.266 176.300 0.075 0.000 1.046 109 R CA 1.057 57.208 56.100 0.085 0.000 1.057 109 R CB -0.503 29.856 30.300 0.098 0.000 0.888 109 R HN 0.592 nan 8.270 nan 0.000 0.474 110 G N 0.273 109.108 108.800 0.059 0.000 3.581 110 G HA2 0.006 3.965 3.960 -0.002 0.000 0.248 110 G HA3 0.006 3.965 3.960 -0.002 0.000 0.248 110 G C -0.048 174.882 174.900 0.051 0.000 1.037 110 G CA 0.084 45.211 45.100 0.044 0.000 0.902 110 G HN 0.339 nan 8.290 nan 0.000 0.512 111 S N 0.569 116.306 115.700 0.062 0.000 2.584 111 S HA 0.624 5.093 4.470 -0.002 0.000 0.270 111 S C 0.688 175.338 174.600 0.083 0.000 1.346 111 S CA 0.157 58.397 58.200 0.067 0.000 1.018 111 S CB 1.568 64.810 63.200 0.070 0.000 0.899 111 S HN 0.973 nan 8.310 nan 0.000 0.542 112 A N 1.416 124.284 122.820 0.080 0.000 2.511 112 A HA 0.216 4.535 4.320 -0.002 0.000 0.242 112 A C 0.953 178.616 177.584 0.132 0.000 1.069 112 A CA -0.393 51.697 52.037 0.088 0.000 0.763 112 A CB -0.310 18.724 19.000 0.057 0.000 1.001 112 A HN 0.898 nan 8.150 nan 0.000 0.498 113 D N 1.238 121.731 120.400 0.156 0.000 2.133 113 D HA -0.130 4.509 4.640 -0.002 0.000 0.195 113 D C 1.855 178.290 176.300 0.225 0.000 0.997 113 D CA 2.398 56.525 54.000 0.212 0.000 0.840 113 D CB -0.215 40.710 40.800 0.207 0.000 0.947 113 D HN 0.734 nan 8.370 nan 0.000 0.452 114 T N -1.756 112.906 114.554 0.179 0.000 3.312 114 T HA 0.549 4.898 4.350 -0.002 0.000 0.251 114 T C 0.586 175.398 174.700 0.187 0.000 1.012 114 T CA -0.287 61.931 62.100 0.197 0.000 0.925 114 T CB -0.213 68.710 68.868 0.092 0.000 1.049 114 T HN 0.112 nan 8.240 nan 0.000 0.583 115 A N 1.693 124.634 122.820 0.200 0.000 2.520 115 A HA 0.335 4.654 4.320 -0.002 0.000 0.235 115 A C 0.713 178.495 177.584 0.330 0.000 1.065 115 A CA -0.514 51.672 52.037 0.248 0.000 0.764 115 A CB 0.016 19.129 19.000 0.188 0.000 1.002 115 A HN 0.680 nan 8.150 nan 0.000 0.502 116 R N 1.145 121.902 120.500 0.428 0.000 2.401 116 R HA 0.326 4.665 4.340 -0.002 0.000 0.299 116 R C -1.227 175.196 176.300 0.206 0.000 1.064 116 R CA 0.149 56.448 56.100 0.332 0.000 1.000 116 R CB 0.254 30.678 30.300 0.206 0.000 0.973 116 R HN 0.869 nan 8.270 nan 0.000 0.438 117 D N 1.977 122.479 120.400 0.170 0.000 2.755 117 D HA 0.112 4.751 4.640 -0.002 0.000 0.277 117 D C -1.103 175.217 176.300 0.034 0.000 1.261 117 D CA -0.473 53.556 54.000 0.048 0.000 0.759 117 D CB 1.700 42.452 40.800 -0.080 0.000 1.279 117 D HN 0.190 nan 8.370 nan 0.000 0.420 118 V N 1.652 121.607 119.914 0.068 0.000 2.872 118 V HA 0.174 4.293 4.120 -0.002 0.000 0.307 118 V C -0.141 175.941 176.094 -0.020 0.000 1.072 118 V CA 0.492 62.870 62.300 0.131 0.000 1.148 118 V CB 0.466 32.386 31.823 0.163 0.000 0.954 118 V HN 0.470 nan 8.190 nan 0.000 0.490 119 H N 1.126 120.348 119.070 0.254 0.000 2.495 119 H HA 0.600 5.155 4.556 -0.002 0.000 0.348 119 H C 0.509 176.047 175.328 0.351 0.000 1.113 119 H CA 0.130 56.365 56.048 0.311 0.000 1.195 119 H CB 1.435 31.418 29.762 0.368 0.000 1.521 119 H HN 0.872 nan 8.280 nan 0.000 0.509 120 G N 0.985 110.074 108.800 0.481 0.000 2.467 120 G HA2 0.322 4.281 3.960 -0.002 0.000 0.257 120 G HA3 0.322 4.281 3.960 -0.002 0.000 0.257 120 G C -1.106 173.918 174.900 0.206 0.000 1.227 120 G CA -0.054 45.250 45.100 0.340 0.000 0.835 120 G HN 0.487 nan 8.290 nan 0.000 0.556 121 F N 1.899 121.751 119.950 -0.164 0.000 3.167 121 F HA 0.571 5.097 4.527 -0.002 0.000 0.389 121 F C -0.033 175.417 175.800 -0.584 0.000 1.233 121 F CA -1.424 56.374 58.000 -0.336 0.000 1.238 121 F CB 0.777 39.704 39.000 -0.122 0.000 1.971 121 F HN 0.668 nan 8.300 nan 0.000 0.651 122 A N 2.760 125.170 122.820 -0.685 0.000 2.271 122 A HA 0.734 5.053 4.320 -0.002 0.000 0.317 122 A C -0.277 176.715 177.584 -0.985 0.000 1.245 122 A CA -0.212 51.230 52.037 -0.993 0.000 0.857 122 A CB 0.402 18.372 19.000 -1.716 0.000 1.175 122 A HN 0.626 nan 8.150 nan 0.000 0.512 123 T N 0.245 114.419 114.554 -0.634 0.000 2.840 123 T HA 0.627 4.976 4.350 -0.002 0.000 0.287 123 T C -0.450 174.029 174.700 -0.368 0.000 0.991 123 T CA -0.705 61.074 62.100 -0.535 0.000 0.964 123 T CB 1.138 69.648 68.868 -0.596 0.000 0.954 123 T HN 0.755 nan 8.240 nan 0.000 0.438 124 R N 2.876 123.221 120.500 -0.258 0.000 2.346 124 R HA 0.600 4.939 4.340 -0.002 0.000 0.311 124 R C -1.466 174.478 176.300 -0.592 0.000 0.983 124 R CA -0.837 55.042 56.100 -0.369 0.000 0.880 124 R CB 0.601 30.614 30.300 -0.479 0.000 1.100 124 R HN 0.610 nan 8.270 nan 0.000 0.453 125 F N 4.471 124.141 119.950 -0.466 0.000 2.388 125 F HA 0.299 4.825 4.527 -0.002 0.000 0.358 125 F C -0.564 175.027 175.800 -0.349 0.000 1.122 125 F CA -0.665 57.101 58.000 -0.390 0.000 1.056 125 F CB 1.064 39.693 39.000 -0.619 0.000 1.155 125 F HN 0.475 nan 8.300 nan 0.000 0.461 126 Y N 1.774 122.079 120.300 0.008 0.000 2.636 126 Y HA 0.180 4.728 4.550 -0.002 0.000 0.334 126 Y C 1.178 177.070 175.900 -0.014 0.000 1.286 126 Y CA -0.800 57.270 58.100 -0.051 0.000 1.688 126 Y CB -0.410 37.995 38.460 -0.092 0.000 1.662 126 Y HN 0.563 nan 8.280 nan 0.000 0.465 127 T N -3.179 111.426 114.554 0.085 0.000 2.828 127 T HA 0.020 4.369 4.350 -0.002 0.000 0.290 127 T C 1.061 175.808 174.700 0.078 0.000 1.019 127 T CA -0.603 61.554 62.100 0.095 0.000 1.031 127 T CB 0.979 69.888 68.868 0.068 0.000 1.001 127 T HN 0.577 nan 8.240 nan 0.000 0.531 128 D N -0.174 120.282 120.400 0.093 0.000 2.378 128 D HA -0.039 4.599 4.640 -0.002 0.000 0.227 128 D C 0.768 177.097 176.300 0.048 0.000 1.012 128 D CA 0.525 54.562 54.000 0.062 0.000 0.905 128 D CB -0.027 40.816 40.800 0.071 0.000 0.895 128 D HN 0.659 nan 8.370 nan 0.000 0.532 129 E N 0.124 120.355 120.200 0.052 0.000 2.789 129 E HA 0.444 4.793 4.350 -0.002 0.000 0.208 129 E C 0.550 177.166 176.600 0.027 0.000 0.988 129 E CA -0.100 56.325 56.400 0.042 0.000 1.092 129 E CB 0.735 30.465 29.700 0.051 0.000 1.066 129 E HN 0.342 nan 8.360 nan 0.000 0.465 130 G N 1.395 110.201 108.800 0.010 0.000 2.440 130 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.684 130 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.684 130 G C -0.844 174.034 174.900 -0.038 0.000 1.309 130 G CA -1.145 43.944 45.100 -0.019 0.000 0.931 130 G HN 0.038 nan 8.290 nan 0.000 0.612 131 N N -0.389 118.244 118.700 -0.111 0.000 2.497 131 N HA 0.542 5.281 4.740 -0.002 0.000 0.268 131 N C -0.767 174.717 175.510 -0.044 0.000 1.171 131 N CA 0.089 53.027 53.050 -0.187 0.000 0.948 131 N CB 0.949 39.178 38.487 -0.430 0.000 1.069 131 N HN 0.524 nan 8.380 nan 0.000 0.460 132 F N 2.081 121.906 119.950 -0.208 0.000 2.460 132 F HA 0.362 4.888 4.527 -0.002 0.000 0.341 132 F C -0.997 174.757 175.800 -0.078 0.000 1.130 132 F CA -1.343 56.558 58.000 -0.165 0.000 0.962 132 F CB 0.908 39.704 39.000 -0.340 0.000 1.171 132 F HN 0.257 nan 8.300 nan 0.000 0.436 133 D N 6.966 127.134 120.400 -0.387 0.000 2.278 133 D HA 0.416 5.055 4.640 -0.002 0.000 0.245 133 D C -0.320 175.554 176.300 -0.711 0.000 1.052 133 D CA 0.050 53.821 54.000 -0.382 0.000 0.834 133 D CB 2.345 43.136 40.800 -0.015 0.000 1.194 133 D HN 0.436 nan 8.370 nan 0.000 0.481 134 I N 1.900 122.069 120.570 -0.668 0.000 2.330 134 I HA 0.160 4.329 4.170 -0.002 0.000 0.286 134 I C -0.223 175.662 176.117 -0.386 0.000 1.025 134 I CA -0.831 60.108 61.300 -0.601 0.000 1.197 134 I CB 1.354 38.959 38.000 -0.658 0.000 1.358 134 I HN -0.039 nan 8.210 nan 0.000 0.467 135 V N 6.451 126.161 119.914 -0.341 0.000 2.258 135 V HA 0.425 4.544 4.120 -0.002 0.000 0.258 135 V C 0.861 176.800 176.094 -0.257 0.000 1.121 135 V CA -0.238 61.838 62.300 -0.374 0.000 0.942 135 V CB 0.276 31.854 31.823 -0.409 0.000 1.170 135 V HN 0.872 nan 8.190 nan 0.000 0.487 136 G N 3.323 111.995 108.800 -0.213 0.000 2.887 136 G HA2 0.651 4.609 3.960 -0.002 0.000 0.277 136 G HA3 0.651 4.609 3.960 -0.002 0.000 0.277 136 G C -0.808 174.079 174.900 -0.021 0.000 1.346 136 G CA -0.603 44.434 45.100 -0.106 0.000 1.058 136 G HN 0.492 nan 8.290 nan 0.000 0.535 137 N N -1.008 117.725 118.700 0.055 0.000 2.697 137 N HA 0.213 4.952 4.740 -0.002 0.000 0.272 137 N C 0.447 176.113 175.510 0.260 0.000 1.381 137 N CA -0.742 52.421 53.050 0.188 0.000 0.797 137 N CB 1.511 40.093 38.487 0.157 0.000 1.523 137 N HN 0.541 nan 8.380 nan 0.000 0.518 138 N N 0.281 119.197 118.700 0.359 0.000 2.383 138 N HA 0.076 4.815 4.740 -0.002 0.000 0.192 138 N C -0.436 175.289 175.510 0.359 0.000 1.141 138 N CA 0.401 53.700 53.050 0.415 0.000 0.851 138 N CB 0.548 39.301 38.487 0.445 0.000 0.976 138 N HN 0.474 nan 8.380 nan 0.000 0.465 139 I N 1.049 121.644 120.570 0.042 0.000 2.545 139 I HA 0.272 4.441 4.170 -0.002 0.000 0.292 139 I C -1.787 173.729 176.117 -1.000 0.000 1.040 139 I CA -2.328 58.577 61.300 -0.658 0.000 1.068 139 I CB 3.079 40.759 38.000 -0.533 0.000 1.251 139 I HN -0.260 nan 8.210 nan 0.000 0.424 140 P HA 0.007 nan 4.420 nan 0.000 0.245 140 P C -0.070 176.682 177.300 -0.913 0.000 1.206 140 P CA 0.574 62.809 63.100 -1.442 0.000 0.781 140 P CB 0.217 30.867 31.700 -1.749 0.000 0.994 141 V N -3.983 115.324 119.914 -1.011 0.000 2.914 141 V HA 0.681 4.800 4.120 -0.002 0.000 0.314 141 V C -0.799 174.975 176.094 -0.534 0.000 1.084 141 V CA -1.310 60.548 62.300 -0.736 0.000 0.963 141 V CB 2.157 33.426 31.823 -0.923 0.000 1.025 141 V HN -0.181 nan 8.190 nan 0.000 0.432 142 F N 1.577 121.230 119.950 -0.495 0.000 2.594 142 F HA 0.709 5.235 4.527 -0.002 0.000 0.335 142 F C 0.721 176.359 175.800 -0.271 0.000 1.058 142 F CA -1.446 56.330 58.000 -0.374 0.000 0.981 142 F CB 2.031 40.931 39.000 -0.167 0.000 1.289 142 F HN 0.498 nan 8.300 nan 0.000 0.490 143 F N 2.051 121.507 119.950 -0.823 0.000 2.293 143 F HA 0.040 4.566 4.527 -0.002 0.000 0.300 143 F C 0.684 176.411 175.800 -0.122 0.000 1.086 143 F CA 1.068 58.795 58.000 -0.454 0.000 1.375 143 F CB -0.355 38.352 39.000 -0.490 0.000 1.045 143 F HN 0.149 nan 8.300 nan 0.000 0.516 144 I N -3.433 117.287 120.570 0.251 0.000 2.934 144 I HA 0.403 4.572 4.170 -0.002 0.000 0.306 144 I C 0.076 176.351 176.117 0.263 0.000 1.110 144 I CA -0.811 60.662 61.300 0.289 0.000 1.019 144 I CB 2.023 40.261 38.000 0.396 0.000 1.227 144 I HN -0.236 nan 8.210 nan 0.000 0.434 145 Q N 0.635 120.562 119.800 0.211 0.000 2.247 145 Q HA 0.255 4.594 4.340 -0.002 0.000 0.211 145 Q C -0.764 175.401 176.000 0.275 0.000 0.861 145 Q CA 0.166 56.095 55.803 0.210 0.000 0.949 145 Q CB 0.789 29.683 28.738 0.260 0.000 1.115 145 Q HN 0.609 nan 8.270 nan 0.000 0.507 146 D N -1.103 119.436 120.400 0.232 0.000 2.990 146 D HA 0.276 4.915 4.640 -0.002 0.000 0.227 146 D C -0.092 176.308 176.300 0.166 0.000 1.249 146 D CA -0.236 53.869 54.000 0.174 0.000 0.891 146 D CB 1.762 42.645 40.800 0.138 0.000 1.647 146 D HN -0.010 nan 8.370 nan 0.000 0.530 147 A N 3.913 126.798 122.820 0.109 0.000 2.024 147 A HA -0.138 4.181 4.320 -0.002 0.000 0.220 147 A C 2.130 179.787 177.584 0.121 0.000 1.164 147 A CA 0.852 52.943 52.037 0.090 0.000 0.643 147 A CB -0.453 18.552 19.000 0.007 0.000 0.806 147 A HN 0.731 nan 8.150 nan 0.000 0.451 148 I N -0.476 120.148 120.570 0.091 0.000 2.567 148 I HA -0.164 4.005 4.170 -0.002 0.000 0.257 148 I C 1.496 177.675 176.117 0.104 0.000 1.184 148 I CA 0.918 62.263 61.300 0.074 0.000 1.451 148 I CB 0.022 38.044 38.000 0.038 0.000 1.089 148 I HN 0.314 nan 8.210 nan 0.000 0.441 149 L N -0.610 120.706 121.223 0.155 0.000 2.599 149 L HA -0.089 4.250 4.340 -0.002 0.000 0.230 149 L C 2.037 179.007 176.870 0.166 0.000 1.141 149 L CA 0.081 55.024 54.840 0.170 0.000 0.877 149 L CB -0.516 41.685 42.059 0.237 0.000 1.009 149 L HN 0.221 nan 8.230 nan 0.000 0.447 150 F N 2.479 122.447 119.950 0.029 0.000 2.095 150 F HA -0.101 4.425 4.527 -0.002 0.000 0.298 150 F C -0.412 175.302 175.800 -0.143 0.000 1.104 150 F CA 1.396 59.398 58.000 0.003 0.000 1.232 150 F CB -1.216 37.809 39.000 0.043 0.000 0.987 150 F HN 0.080 nan 8.300 nan 0.000 0.475 151 P HA -0.125 nan 4.420 nan 0.000 0.220 151 P C 1.160 178.053 177.300 -0.679 0.000 1.148 151 P CA 1.711 64.496 63.100 -0.525 0.000 0.803 151 P CB -0.056 31.405 31.700 -0.399 0.000 0.782 152 D N -0.531 119.628 120.400 -0.402 0.000 2.084 152 D HA -0.126 4.513 4.640 -0.002 0.000 0.196 152 D C 1.957 177.754 176.300 -0.838 0.000 0.985 152 D CA 0.981 54.742 54.000 -0.397 0.000 0.826 152 D CB -0.770 39.984 40.800 -0.077 0.000 0.978 152 D HN 0.068 nan 8.370 nan 0.000 0.456 153 L N 1.248 121.877 121.223 -0.990 0.000 2.013 153 L HA -0.184 4.155 4.340 -0.002 0.000 0.212 153 L C 2.090 178.439 176.870 -0.869 0.000 1.073 153 L CA 1.547 55.620 54.840 -1.279 0.000 0.753 153 L CB -0.425 41.245 42.059 -0.648 0.000 0.890 153 L HN -0.042 nan 8.230 nan 0.000 0.432 154 I N -0.819 119.320 120.570 -0.718 0.000 2.353 154 I HA -0.231 3.938 4.170 -0.002 0.000 0.248 154 I C 2.516 178.463 176.117 -0.283 0.000 1.119 154 I CA 1.393 62.371 61.300 -0.536 0.000 1.417 154 I CB -1.623 35.983 38.000 -0.655 0.000 1.078 154 I HN 0.464 nan 8.210 nan 0.000 0.421 155 H N 0.569 119.428 119.070 -0.351 0.000 2.421 155 H HA -0.060 4.495 4.556 -0.002 0.000 0.298 155 H C 2.227 177.414 175.328 -0.234 0.000 1.087 155 H CA 0.973 56.880 56.048 -0.235 0.000 1.330 155 H CB 0.315 29.969 29.762 -0.180 0.000 1.388 155 H HN 0.333 nan 8.280 nan 0.000 0.526 156 A N 0.502 123.168 122.820 -0.258 0.000 1.929 156 A HA -0.071 4.248 4.320 -0.002 0.000 0.216 156 A C 2.528 179.948 177.584 -0.274 0.000 1.176 156 A CA 0.993 52.854 52.037 -0.293 0.000 0.628 156 A CB -0.426 18.283 19.000 -0.486 0.000 0.816 156 A HN 0.185 nan 8.150 nan 0.000 0.444 157 V N 0.161 119.884 119.914 -0.319 0.000 2.407 157 V HA -0.069 4.050 4.120 -0.002 0.000 0.245 157 V C 1.323 177.466 176.094 0.083 0.000 1.041 157 V CA 1.118 63.298 62.300 -0.200 0.000 1.040 157 V CB -0.485 31.168 31.823 -0.283 0.000 0.671 157 V HN 0.408 nan 8.190 nan 0.000 0.455 158 K N 0.388 120.785 120.400 -0.005 0.000 2.156 158 K HA 0.181 4.500 4.320 -0.002 0.000 0.242 158 K C -2.295 174.289 176.600 -0.026 0.000 1.033 158 K CA -1.487 54.795 56.287 -0.008 0.000 0.878 158 K CB -0.165 32.312 32.500 -0.038 0.000 1.057 158 K HN 0.123 nan 8.250 nan 0.000 0.505 159 P HA -0.014 nan 4.420 nan 0.000 0.268 159 P C -0.721 176.503 177.300 -0.126 0.000 1.208 159 P CA 0.113 63.101 63.100 -0.186 0.000 0.777 159 P CB 0.461 32.084 31.700 -0.129 0.000 0.875 160 R N 1.354 121.772 120.500 -0.137 0.000 2.640 160 R HA 0.066 4.405 4.340 -0.002 0.000 0.270 160 R C 1.864 178.122 176.300 -0.070 0.000 1.024 160 R CA 0.694 56.756 56.100 -0.064 0.000 1.085 160 R CB -0.226 30.048 30.300 -0.043 0.000 0.963 160 R HN 0.682 nan 8.270 nan 0.000 0.426 161 G N 2.549 111.308 108.800 -0.069 0.000 2.448 161 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.219 161 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.219 161 G C 0.775 175.639 174.900 -0.060 0.000 1.127 161 G CA 1.006 46.057 45.100 -0.082 0.000 0.766 161 G HN 0.849 nan 8.290 nan 0.000 0.552 162 D N 1.247 121.620 120.400 -0.044 0.000 2.120 162 D HA -0.076 4.563 4.640 -0.002 0.000 0.202 162 D C 1.709 177.989 176.300 -0.033 0.000 0.972 162 D CA 1.331 55.310 54.000 -0.034 0.000 0.837 162 D CB -0.649 40.138 40.800 -0.023 0.000 0.989 162 D HN 0.471 nan 8.370 nan 0.000 0.469 163 N N -0.890 117.788 118.700 -0.037 0.000 2.159 163 N HA 0.002 4.741 4.740 -0.002 0.000 0.217 163 N C 0.015 175.501 175.510 -0.042 0.000 1.223 163 N CA -0.042 52.988 53.050 -0.034 0.000 0.896 163 N CB -0.118 38.353 38.487 -0.027 0.000 1.064 163 N HN 0.211 nan 8.380 nan 0.000 0.518 164 Q N 0.161 119.927 119.800 -0.055 0.000 2.451 164 Q HA -0.156 4.183 4.340 -0.002 0.000 0.305 164 Q C -1.249 174.709 176.000 -0.071 0.000 1.345 164 Q CA 0.511 56.276 55.803 -0.064 0.000 0.854 164 Q CB -1.365 27.344 28.738 -0.049 0.000 1.162 164 Q HN 0.610 nan 8.270 nan 0.000 0.440 165 I N 1.096 121.610 120.570 -0.092 0.000 2.608 165 I HA 0.573 4.741 4.170 -0.002 0.000 0.295 165 I C -2.295 173.688 176.117 -0.223 0.000 1.049 165 I CA -2.315 58.921 61.300 -0.107 0.000 1.063 165 I CB 2.192 40.154 38.000 -0.063 0.000 1.248 165 I HN 0.023 nan 8.210 nan 0.000 0.424 166 P HA 0.249 nan 4.420 nan 0.000 0.292 166 P C -1.437 175.800 177.300 -0.104 0.000 1.300 166 P CA -0.830 62.185 63.100 -0.142 0.000 0.900 166 P CB 1.481 33.135 31.700 -0.078 0.000 1.139 167 Q N 2.526 122.311 119.800 -0.024 0.000 2.337 167 Q HA 0.380 4.719 4.340 -0.002 0.000 0.270 167 Q C 0.330 176.361 176.000 0.051 0.000 1.002 167 Q CA 0.569 56.376 55.803 0.007 0.000 0.888 167 Q CB -0.580 28.173 28.738 0.024 0.000 1.222 167 Q HN 0.665 nan 8.270 nan 0.000 0.400 168 A N 2.401 125.253 122.820 0.054 0.000 2.560 168 A HA 0.102 4.421 4.320 -0.002 0.000 0.299 168 A C -0.203 177.469 177.584 0.147 0.000 1.484 168 A CA 1.076 53.166 52.037 0.089 0.000 0.749 168 A CB -1.920 17.137 19.000 0.095 0.000 1.072 168 A HN 1.434 nan 8.150 nan 0.000 0.426 169 A N -0.977 121.939 122.820 0.162 0.000 2.566 169 A HA 0.796 5.115 4.320 -0.002 0.000 0.297 169 A C 0.699 178.479 177.584 0.327 0.000 1.059 169 A CA 0.540 52.726 52.037 0.250 0.000 0.691 169 A CB 0.377 19.544 19.000 0.278 0.000 1.282 169 A HN 1.626 nan 8.150 nan 0.000 0.401 170 T N -0.912 113.819 114.554 0.295 0.000 3.107 170 T HA 0.343 4.692 4.350 -0.002 0.000 0.249 170 T C 0.939 175.860 174.700 0.368 0.000 1.096 170 T CA 0.898 63.135 62.100 0.228 0.000 1.012 170 T CB -0.045 68.929 68.868 0.177 0.000 0.977 170 T HN 1.562 nan 8.240 nan 0.000 0.527 171 A N 2.396 125.502 122.820 0.477 0.000 3.051 171 A HA 0.488 4.807 4.320 -0.002 0.000 0.257 171 A C 0.129 177.937 177.584 0.374 0.000 1.785 171 A CA -0.654 51.633 52.037 0.416 0.000 1.420 171 A CB -1.440 17.757 19.000 0.329 0.000 1.063 171 A HN 0.946 nan 8.150 nan 0.000 0.630 172 H N -4.222 114.995 119.070 0.244 0.000 3.042 172 H HA 0.506 5.061 4.556 -0.002 0.000 0.346 172 H C -0.241 175.186 175.328 0.165 0.000 1.294 172 H CA -0.758 55.371 56.048 0.136 0.000 1.141 172 H CB 0.303 30.110 29.762 0.076 0.000 1.872 172 H HN 0.044 nan 8.280 nan 0.000 0.541 173 D N 0.491 120.969 120.400 0.130 0.000 2.116 173 D HA -0.237 4.402 4.640 -0.002 0.000 0.193 173 D C 2.088 178.384 176.300 -0.007 0.000 0.998 173 D CA 2.891 56.932 54.000 0.068 0.000 0.836 173 D CB -0.130 40.708 40.800 0.063 0.000 0.951 173 D HN 0.597 nan 8.370 nan 0.000 0.449 174 S N 0.294 115.961 115.700 -0.054 0.000 2.368 174 S HA -0.112 4.357 4.470 -0.002 0.000 0.225 174 S C 2.176 176.591 174.600 -0.309 0.000 1.030 174 S CA 1.117 59.251 58.200 -0.109 0.000 0.999 174 S CB -0.578 62.610 63.200 -0.020 0.000 0.844 174 S HN 0.271 nan 8.310 nan 0.000 0.459 175 A N 1.048 123.496 122.820 -0.619 0.000 1.883 175 A HA -0.038 4.281 4.320 -0.002 0.000 0.217 175 A C 1.931 178.818 177.584 -1.162 0.000 1.186 175 A CA 1.442 52.900 52.037 -0.964 0.000 0.624 175 A CB -1.390 17.011 19.000 -0.998 0.000 0.822 175 A HN 0.753 nan 8.150 nan 0.000 0.444 176 W N -0.283 120.709 121.300 -0.513 0.000 2.467 176 W HA -0.005 4.653 4.660 -0.002 0.000 0.275 176 W C 1.910 178.356 176.519 -0.121 0.000 1.239 176 W CA 0.867 58.102 57.345 -0.185 0.000 1.266 176 W CB -0.216 29.232 29.460 -0.020 0.000 1.112 176 W HN 0.462 nan 8.180 nan 0.000 0.576 177 D N -0.165 120.256 120.400 0.035 0.000 2.092 177 D HA -0.275 4.364 4.640 -0.002 0.000 0.193 177 D C 1.894 178.178 176.300 -0.027 0.000 0.994 177 D CA 1.461 55.474 54.000 0.022 0.000 0.828 177 D CB -0.569 40.239 40.800 0.013 0.000 0.963 177 D HN 0.077 nan 8.370 nan 0.000 0.450 178 F N -0.058 119.731 119.950 -0.268 0.000 2.102 178 F HA -0.157 4.369 4.527 -0.002 0.000 0.298 178 F C 1.973 177.674 175.800 -0.165 0.000 1.105 178 F CA 1.291 59.129 58.000 -0.271 0.000 1.239 178 F CB -0.434 38.309 39.000 -0.427 0.000 0.991 178 F HN -0.084 nan 8.300 nan 0.000 0.474 179 F N 0.704 120.574 119.950 -0.134 0.000 2.126 179 F HA -0.197 4.329 4.527 -0.002 0.000 0.299 179 F C 2.947 178.656 175.800 -0.152 0.000 1.096 179 F CA 1.306 59.180 58.000 -0.210 0.000 1.255 179 F CB -1.809 37.018 39.000 -0.288 0.000 0.997 179 F HN 0.112 nan 8.300 nan 0.000 0.479 180 S N -1.087 114.691 115.700 0.131 0.000 2.436 180 S HA -0.100 4.369 4.470 -0.002 0.000 0.228 180 S C 1.706 176.318 174.600 0.021 0.000 1.014 180 S CA 0.489 58.757 58.200 0.114 0.000 0.950 180 S CB -0.359 62.941 63.200 0.168 0.000 0.784 180 S HN 0.341 nan 8.310 nan 0.000 0.504 181 Q N 0.357 120.110 119.800 -0.079 0.000 2.331 181 Q HA 0.207 4.546 4.340 -0.002 0.000 0.203 181 Q C 0.476 176.356 176.000 -0.201 0.000 0.944 181 Q CA 0.841 56.575 55.803 -0.115 0.000 0.892 181 Q CB -0.054 28.609 28.738 -0.124 0.000 0.983 181 Q HN 0.628 nan 8.270 nan 0.000 0.482 182 Q N 0.471 120.066 119.800 -0.341 0.000 3.064 182 Q HA 0.177 4.516 4.340 -0.002 0.000 0.258 182 Q C -2.120 173.730 176.000 -0.250 0.000 0.972 182 Q CA -1.689 53.883 55.803 -0.386 0.000 0.761 182 Q CB 1.280 29.515 28.738 -0.839 0.000 1.281 182 Q HN -0.076 nan 8.270 nan 0.000 0.455 183 P HA -0.134 nan 4.420 nan 0.000 0.234 183 P C 0.800 177.883 177.300 -0.360 0.000 1.167 183 P CA 0.866 63.835 63.100 -0.218 0.000 0.763 183 P CB 0.307 31.910 31.700 -0.161 0.000 0.835 184 S N 0.592 116.116 115.700 -0.294 0.000 2.420 184 S HA -0.178 4.290 4.470 -0.002 0.000 0.237 184 S C 1.959 176.460 174.600 -0.165 0.000 1.023 184 S CA 1.706 59.761 58.200 -0.241 0.000 0.991 184 S CB -2.029 61.099 63.200 -0.120 0.000 0.792 184 S HN 0.190 nan 8.310 nan 0.000 0.488 185 V N -0.222 119.640 119.914 -0.086 0.000 2.913 185 V HA 0.049 4.168 4.120 -0.002 0.000 0.260 185 V C 2.141 178.178 176.094 -0.094 0.000 1.098 185 V CA 1.278 63.601 62.300 0.037 0.000 1.121 185 V CB -1.220 30.712 31.823 0.182 0.000 0.714 185 V HN 0.515 nan 8.190 nan 0.000 0.487 186 L N -0.223 120.908 121.223 -0.153 0.000 2.141 186 L HA -0.130 4.209 4.340 -0.002 0.000 0.209 186 L C 2.716 179.543 176.870 -0.071 0.000 1.094 186 L CA 2.259 57.021 54.840 -0.131 0.000 0.763 186 L CB -0.895 41.084 42.059 -0.132 0.000 0.908 186 L HN 0.470 nan 8.230 nan 0.000 0.437 187 H N -0.357 118.583 119.070 -0.217 0.000 2.299 187 H HA -0.164 4.391 4.556 -0.002 0.000 0.302 187 H C 2.193 177.377 175.328 -0.241 0.000 1.078 187 H CA 1.648 57.587 56.048 -0.181 0.000 1.323 187 H CB 0.350 29.988 29.762 -0.207 0.000 1.381 187 H HN 0.198 nan 8.280 nan 0.000 0.498 188 T N 1.510 115.808 114.554 -0.426 0.000 2.759 188 T HA -0.171 4.178 4.350 -0.002 0.000 0.269 188 T C 2.009 176.419 174.700 -0.484 0.000 1.042 188 T CA 1.130 62.792 62.100 -0.729 0.000 1.140 188 T CB -0.381 67.638 68.868 -1.416 0.000 0.864 188 T HN 0.145 nan 8.240 nan 0.000 0.455 189 L N 0.588 121.601 121.223 -0.349 0.000 2.012 189 L HA -0.050 4.289 4.340 -0.002 0.000 0.210 189 L C 2.074 178.900 176.870 -0.075 0.000 1.073 189 L CA 1.587 56.277 54.840 -0.249 0.000 0.748 189 L CB -0.692 41.121 42.059 -0.409 0.000 0.891 189 L HN 0.144 nan 8.230 nan 0.000 0.431 190 L N -1.960 119.260 121.223 -0.006 0.000 2.046 190 L HA -0.192 4.146 4.340 -0.002 0.000 0.208 190 L C 2.161 179.078 176.870 0.079 0.000 1.077 190 L CA 1.801 56.717 54.840 0.127 0.000 0.747 190 L CB -0.967 41.234 42.059 0.238 0.000 0.896 190 L HN 0.324 nan 8.230 nan 0.000 0.432 191 W N -0.281 120.755 121.300 -0.439 0.000 2.335 191 W HA -0.075 4.584 4.660 -0.002 0.000 0.311 191 W C 1.782 178.322 176.519 0.035 0.000 1.213 191 W CA 1.099 58.228 57.345 -0.359 0.000 1.274 191 W CB -0.859 28.249 29.460 -0.586 0.000 1.148 191 W HN 0.066 nan 8.180 nan 0.000 0.498 195 G N -1.023 107.920 108.800 0.237 0.000 2.509 195 G HA2 -0.015 3.944 3.960 -0.002 0.000 0.218 195 G HA3 -0.015 3.944 3.960 -0.002 0.000 0.218 195 G C 0.872 175.790 174.900 0.029 0.000 1.124 195 G CA 1.383 46.572 45.100 0.149 0.000 0.776 195 G HN 0.717 nan 8.290 nan 0.000 0.547 196 H N 0.502 119.702 119.070 0.217 0.000 2.491 196 H HA -0.036 4.519 4.556 -0.002 0.000 0.290 196 H C 2.682 178.169 175.328 0.265 0.000 1.050 196 H CA 0.988 57.180 56.048 0.239 0.000 1.309 196 H CB -0.217 29.777 29.762 0.387 0.000 1.392 196 H HN 0.402 nan 8.280 nan 0.000 0.554 197 G N 1.027 110.054 108.800 0.378 0.000 2.623 197 G HA2 0.045 4.004 3.960 -0.002 0.000 0.214 197 G HA3 0.045 4.004 3.960 -0.002 0.000 0.214 197 G C 1.067 176.230 174.900 0.439 0.000 1.138 197 G CA 0.250 45.590 45.100 0.399 0.000 0.794 197 G HN 0.463 nan 8.290 nan 0.000 0.535 198 I N -1.769 118.983 120.570 0.303 0.000 2.948 198 I HA 0.362 4.531 4.170 -0.002 0.000 0.308 198 I C -2.846 173.303 176.117 0.054 0.000 1.478 198 I CA -2.532 58.943 61.300 0.291 0.000 0.843 198 I CB 1.705 39.935 38.000 0.384 0.000 2.100 198 I HN -0.242 nan 8.210 nan 0.000 0.625 199 P HA 0.098 nan 4.420 nan 0.000 0.272 199 P C 0.529 177.454 177.300 -0.624 0.000 1.223 199 P CA -0.196 62.695 63.100 -0.348 0.000 0.784 199 P CB 1.403 32.918 31.700 -0.308 0.000 0.923 200 R N 2.032 122.030 120.500 -0.838 0.000 2.115 200 R HA -0.024 4.315 4.340 -0.002 0.000 0.230 200 R C 0.575 176.696 176.300 -0.299 0.000 1.111 200 R CA 1.673 57.204 56.100 -0.949 0.000 0.976 200 R CB -0.513 29.312 30.300 -0.792 0.000 0.870 200 R HN 0.684 nan 8.270 nan 0.000 0.445 201 S N -3.149 112.401 115.700 -0.251 0.000 2.611 201 S HA 0.261 4.729 4.470 -0.002 0.000 0.268 201 S C -0.023 174.396 174.600 -0.302 0.000 1.156 201 S CA -0.831 57.236 58.200 -0.222 0.000 0.817 201 S CB -0.186 63.035 63.200 0.035 0.000 1.122 201 S HN -0.023 nan 8.310 nan 0.000 0.466 202 F N 1.197 120.999 119.950 -0.247 0.000 2.502 202 F HA 0.287 4.812 4.527 -0.002 0.000 0.298 202 F C 2.397 177.960 175.800 -0.396 0.000 1.111 202 F CA 0.381 58.035 58.000 -0.577 0.000 1.445 202 F CB -0.340 37.948 39.000 -1.186 0.000 1.081 202 F HN 0.485 nan 8.300 nan 0.000 0.558 203 R N -0.949 119.487 120.500 -0.106 0.000 2.275 203 R HA 0.002 4.341 4.340 -0.002 0.000 0.199 203 R C 0.129 176.155 176.300 -0.457 0.000 0.989 203 R CA 0.657 56.617 56.100 -0.233 0.000 1.016 203 R CB -0.360 29.679 30.300 -0.435 0.000 0.918 203 R HN 0.366 nan 8.270 nan 0.000 0.473 204 H N -0.439 118.579 119.070 -0.087 0.000 2.481 204 H HA 0.173 4.728 4.556 -0.002 0.000 0.273 204 H C -0.431 174.872 175.328 -0.042 0.000 1.145 204 H CA -0.527 55.436 56.048 -0.143 0.000 0.964 204 H CB 0.620 30.207 29.762 -0.292 0.000 1.722 204 H HN -0.057 nan 8.280 nan 0.000 0.573 205 V N -2.675 117.366 119.914 0.211 0.000 3.102 205 V HA 0.560 4.679 4.120 -0.002 0.000 0.312 205 V C -0.291 176.117 176.094 0.522 0.000 1.135 205 V CA -1.193 61.301 62.300 0.324 0.000 1.022 205 V CB 2.490 34.506 31.823 0.321 0.000 1.056 205 V HN 0.106 nan 8.190 nan 0.000 0.436 206 N N 0.587 119.527 118.700 0.400 0.000 2.478 206 N HA 0.760 5.499 4.740 -0.002 0.000 0.275 206 N C -0.032 175.407 175.510 -0.118 0.000 1.221 206 N CA 0.338 53.523 53.050 0.224 0.000 0.979 206 N CB 1.787 40.269 38.487 -0.009 0.000 1.202 206 N HN 1.216 nan 8.380 nan 0.000 0.564 207 G N -0.686 107.635 108.800 -0.799 0.000 2.537 207 G HA2 0.765 4.724 3.960 -0.002 0.000 0.308 207 G HA3 0.765 4.724 3.960 -0.002 0.000 0.308 207 G C -1.586 172.624 174.900 -1.151 0.000 1.237 207 G CA -0.399 43.965 45.100 -1.226 0.000 0.968 207 G HN 0.316 nan 8.290 nan 0.000 0.481 208 F N -0.916 118.827 119.950 -0.343 0.000 2.615 208 F HA 0.451 4.977 4.527 -0.002 0.000 0.312 208 F C 1.046 176.700 175.800 -0.243 0.000 1.119 208 F CA -0.514 57.285 58.000 -0.335 0.000 0.979 208 F CB 2.394 41.167 39.000 -0.379 0.000 1.266 208 F HN 0.633 nan 8.300 nan 0.000 0.444 209 G N 0.733 109.534 108.800 0.001 0.000 2.534 209 G HA2 0.187 4.146 3.960 -0.002 0.000 0.217 209 G HA3 0.187 4.146 3.960 -0.002 0.000 0.217 209 G C 1.091 176.023 174.900 0.054 0.000 1.128 209 G CA 0.975 46.132 45.100 0.095 0.000 0.784 209 G HN 0.716 nan 8.290 nan 0.000 0.542 210 V N -0.278 119.593 119.914 -0.073 0.000 0.550 210 V HA -0.307 3.812 4.120 -0.002 0.000 0.092 210 V C 0.993 176.958 176.094 -0.215 0.000 2.065 210 V CA 2.003 64.140 62.300 -0.272 0.000 3.496 210 V CB -1.509 30.028 31.823 -0.477 0.000 0.788 210 V HN 0.616 nan 8.190 nan 0.000 0.820 211 H N 1.197 120.266 119.070 -0.002 0.000 2.679 211 H HA 0.370 4.924 4.556 -0.002 0.000 0.369 211 H C 0.389 175.664 175.328 -0.088 0.000 1.178 211 H CA 0.732 56.693 56.048 -0.146 0.000 1.419 211 H CB 0.465 29.967 29.762 -0.433 0.000 1.458 211 H HN 0.533 nan 8.280 nan 0.000 0.605 212 T N 3.507 118.063 114.554 0.003 0.000 2.834 212 T HA 0.196 4.545 4.350 -0.002 0.000 0.298 212 T C 0.152 174.760 174.700 -0.154 0.000 0.966 212 T CA 0.164 62.263 62.100 -0.002 0.000 1.141 212 T CB -0.232 68.649 68.868 0.023 0.000 0.905 212 T HN 0.216 nan 8.240 nan 0.000 0.535 213 F N 1.123 121.067 119.950 -0.010 0.000 2.613 213 F HA 0.602 5.128 4.527 -0.002 0.000 0.342 213 F C 0.956 176.716 175.800 -0.068 0.000 1.066 213 F CA -1.332 56.676 58.000 0.014 0.000 1.002 213 F CB 1.436 40.489 39.000 0.088 0.000 1.319 213 F HN 0.216 nan 8.300 nan 0.000 0.495 214 R N 0.904 121.495 120.500 0.151 0.000 2.532 214 R HA 0.642 4.981 4.340 -0.002 0.000 0.295 214 R C -1.384 174.899 176.300 -0.028 0.000 0.968 214 R CA -0.745 55.365 56.100 0.017 0.000 0.916 214 R CB 1.383 31.671 30.300 -0.020 0.000 1.124 214 R HN 0.464 nan 8.270 nan 0.000 0.463 215 L N 2.763 123.939 121.223 -0.078 0.000 2.322 215 L HA 0.595 4.934 4.340 -0.002 0.000 0.279 215 L C -0.654 176.150 176.870 -0.109 0.000 1.036 215 L CA -1.039 53.737 54.840 -0.108 0.000 0.807 215 L CB 1.852 43.842 42.059 -0.116 0.000 1.226 215 L HN 0.284 nan 8.230 nan 0.000 0.433 216 V N 0.495 120.321 119.914 -0.147 0.000 2.638 216 V HA 0.398 4.517 4.120 -0.002 0.000 0.306 216 V C 0.212 176.260 176.094 -0.076 0.000 1.052 216 V CA -0.728 61.486 62.300 -0.144 0.000 0.885 216 V CB 2.026 33.645 31.823 -0.341 0.000 0.999 216 V HN 0.896 nan 8.190 nan 0.000 0.424 217 T N -0.732 113.827 114.554 0.009 0.000 2.847 217 T HA 0.244 4.593 4.350 -0.002 0.000 0.279 217 T C 0.730 175.518 174.700 0.147 0.000 0.984 217 T CA -0.472 61.657 62.100 0.048 0.000 0.988 217 T CB 1.067 69.956 68.868 0.035 0.000 1.040 217 T HN 0.553 nan 8.240 nan 0.000 0.528 218 D N 0.815 121.280 120.400 0.107 0.000 2.182 218 D HA -0.100 4.539 4.640 -0.002 0.000 0.201 218 D C 1.412 177.727 176.300 0.025 0.000 0.986 218 D CA 1.396 55.458 54.000 0.103 0.000 0.847 218 D CB -0.211 40.608 40.800 0.031 0.000 0.942 218 D HN 0.855 nan 8.370 nan 0.000 0.467 219 D N -1.141 119.273 120.400 0.024 0.000 2.319 219 D HA 0.131 4.770 4.640 -0.002 0.000 0.230 219 D C 1.337 177.647 176.300 0.017 0.000 1.094 219 D CA 0.570 54.562 54.000 -0.014 0.000 0.856 219 D CB -0.087 40.704 40.800 -0.016 0.000 0.915 219 D HN 0.169 nan 8.370 nan 0.000 0.517 220 G N 0.156 109.022 108.800 0.109 0.000 2.157 220 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.248 220 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.248 220 G C 0.082 175.035 174.900 0.088 0.000 0.979 220 G CA -0.003 45.198 45.100 0.168 0.000 0.650 220 G HN 0.457 nan 8.290 nan 0.000 0.529 221 K N 1.392 121.824 120.400 0.054 0.000 2.249 221 K HA 0.531 4.850 4.320 -0.002 0.000 0.280 221 K C 0.692 177.298 176.600 0.010 0.000 1.033 221 K CA 0.509 56.810 56.287 0.024 0.000 0.946 221 K CB 0.941 33.452 32.500 0.017 0.000 1.005 221 K HN 0.373 nan 8.250 nan 0.000 0.469 222 T N -0.196 114.357 114.554 -0.002 0.000 2.924 222 T HA 0.523 4.872 4.350 -0.002 0.000 0.291 222 T C -0.566 174.124 174.700 -0.017 0.000 1.045 222 T CA -1.124 60.964 62.100 -0.019 0.000 1.015 222 T CB 1.694 70.548 68.868 -0.024 0.000 1.103 222 T HN 0.188 nan 8.240 nan 0.000 0.496 223 K N 1.408 121.791 120.400 -0.028 0.000 2.435 223 K HA 0.534 4.853 4.320 -0.002 0.000 0.251 223 K C -0.834 175.746 176.600 -0.032 0.000 0.954 223 K CA -0.756 55.516 56.287 -0.025 0.000 0.820 223 K CB 2.564 35.045 32.500 -0.031 0.000 1.292 223 K HN 0.648 nan 8.250 nan 0.000 0.436 224 L N 1.816 123.029 121.223 -0.017 0.000 2.312 224 L HA 0.527 4.866 4.340 -0.002 0.000 0.281 224 L C 0.159 177.008 176.870 -0.036 0.000 1.070 224 L CA -1.047 53.786 54.840 -0.012 0.000 0.805 224 L CB 1.369 43.440 42.059 0.019 0.000 1.174 224 L HN 0.365 nan 8.230 nan 0.000 0.434 225 V N -0.253 119.611 119.914 -0.083 0.000 3.007 225 V HA 0.622 4.741 4.120 -0.002 0.000 0.311 225 V C -0.900 175.104 176.094 -0.150 0.000 1.120 225 V CA -1.047 61.151 62.300 -0.170 0.000 0.980 225 V CB 2.217 33.806 31.823 -0.391 0.000 1.033 225 V HN 0.524 nan 8.190 nan 0.000 0.429 226 K N 2.511 122.851 120.400 -0.100 0.000 2.185 226 K HA 0.598 4.917 4.320 -0.002 0.000 0.269 226 K C -1.187 175.351 176.600 -0.103 0.000 0.987 226 K CA -0.262 55.999 56.287 -0.043 0.000 0.865 226 K CB 1.566 34.113 32.500 0.078 0.000 1.090 226 K HN 0.692 nan 8.250 nan 0.000 0.450 227 F N 1.869 121.798 119.950 -0.035 0.000 2.396 227 F HA 0.223 4.749 4.527 -0.002 0.000 0.343 227 F C 0.687 176.269 175.800 -0.364 0.000 1.104 227 F CA -0.084 57.801 58.000 -0.191 0.000 1.161 227 F CB 0.705 39.520 39.000 -0.309 0.000 1.146 227 F HN 0.442 nan 8.300 nan 0.000 0.522 228 H N 0.584 119.567 119.070 -0.145 0.000 2.690 228 H HA 0.361 4.916 4.556 -0.002 0.000 0.368 228 H C -1.611 173.447 175.328 -0.451 0.000 1.150 228 H CA -1.009 54.874 56.048 -0.276 0.000 1.174 228 H CB 1.291 30.975 29.762 -0.130 0.000 1.684 228 H HN 0.610 nan 8.280 nan 0.000 0.538 229 W N 3.156 124.273 121.300 -0.304 0.000 2.338 229 W HA 0.379 5.038 4.660 -0.002 0.000 0.315 229 W C -0.526 176.001 176.519 0.014 0.000 1.005 229 W CA -0.885 56.353 57.345 -0.178 0.000 1.380 229 W CB 1.104 30.222 29.460 -0.571 0.000 1.235 229 W HN 0.135 nan 8.180 nan 0.000 0.409 230 K N 2.710 123.343 120.400 0.388 0.000 2.267 230 K HA 0.293 4.612 4.320 -0.002 0.000 0.282 230 K C 0.475 177.250 176.600 0.292 0.000 1.078 230 K CA -0.326 56.126 56.287 0.274 0.000 0.903 230 K CB 1.104 33.707 32.500 0.171 0.000 1.111 230 K HN 0.647 nan 8.250 nan 0.000 0.475 231 G N 2.519 111.446 108.800 0.211 0.000 2.442 231 G HA2 0.167 4.126 3.960 -0.002 0.000 0.249 231 G HA3 0.167 4.126 3.960 -0.002 0.000 0.249 231 G C 0.747 175.502 174.900 -0.242 0.000 1.263 231 G CA -0.479 44.457 45.100 -0.274 0.000 0.846 231 G HN 0.597 nan 8.290 nan 0.000 0.555 232 L N 1.297 122.288 121.223 -0.388 0.000 2.628 232 L HA 0.116 4.455 4.340 -0.002 0.000 0.229 232 L C 2.130 178.858 176.870 -0.237 0.000 1.137 232 L CA 0.119 54.828 54.840 -0.219 0.000 0.909 232 L CB 0.158 42.129 42.059 -0.146 0.000 1.137 232 L HN 0.451 nan 8.230 nan 0.000 0.470 233 Q N 0.482 120.083 119.800 -0.333 0.000 2.287 233 Q HA 0.373 4.712 4.340 -0.002 0.000 0.201 233 Q C 0.816 176.730 176.000 -0.144 0.000 0.946 233 Q CA 0.804 56.438 55.803 -0.283 0.000 0.868 233 Q CB 0.632 29.056 28.738 -0.524 0.000 0.967 233 Q HN 0.321 nan 8.270 nan 0.000 0.516 234 G N 0.354 109.075 108.800 -0.132 0.000 2.528 234 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.681 234 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.681 234 G C -1.414 173.469 174.900 -0.029 0.000 1.340 234 G CA -1.082 43.983 45.100 -0.060 0.000 0.855 234 G HN -0.011 nan 8.290 nan 0.000 0.649 235 K N 0.079 120.448 120.400 -0.050 0.000 2.448 235 K HA 0.508 4.827 4.320 -0.002 0.000 0.278 235 K C 0.445 176.872 176.600 -0.289 0.000 1.009 235 K CA 0.939 57.170 56.287 -0.092 0.000 0.995 235 K CB 0.942 33.410 32.500 -0.053 0.000 0.917 235 K HN 1.352 nan 8.250 nan 0.000 0.481 236 A N 2.066 124.632 122.820 -0.424 0.000 2.488 236 A HA 0.558 4.877 4.320 -0.002 0.000 0.295 236 A C -1.087 176.065 177.584 -0.719 0.000 1.045 236 A CA -0.652 50.890 52.037 -0.826 0.000 0.703 236 A CB 1.726 19.829 19.000 -1.494 0.000 1.271 236 A HN 0.510 nan 8.150 nan 0.000 0.400 237 S N 0.358 115.668 115.700 -0.651 0.000 2.618 237 S HA 0.838 5.307 4.470 -0.002 0.000 0.277 237 S C -0.966 173.625 174.600 -0.015 0.000 1.138 237 S CA -0.394 57.532 58.200 -0.456 0.000 0.844 237 S CB 0.772 63.694 63.200 -0.464 0.000 1.127 237 S HN 0.495 nan 8.310 nan 0.000 0.474 238 F N 1.401 121.420 119.950 0.114 0.000 2.362 238 F HA 0.548 5.074 4.527 -0.002 0.000 0.311 238 F C 0.718 176.501 175.800 -0.028 0.000 1.161 238 F CA -1.100 56.938 58.000 0.063 0.000 1.085 238 F CB 0.356 39.316 39.000 -0.065 0.000 1.311 238 F HN 0.339 nan 8.300 nan 0.000 0.524 239 V N -0.756 119.141 119.914 -0.027 0.000 2.837 239 V HA 0.181 4.300 4.120 -0.002 0.000 0.310 239 V C 0.751 176.754 176.094 -0.152 0.000 1.059 239 V CA -1.105 60.980 62.300 -0.358 0.000 1.004 239 V CB 1.460 32.919 31.823 -0.607 0.000 1.045 239 V HN 1.017 nan 8.190 nan 0.000 0.465 240 W N 2.242 123.354 121.300 -0.314 0.000 2.338 240 W HA -0.163 4.496 4.660 -0.002 0.000 0.304 240 W C 2.146 178.477 176.519 -0.314 0.000 1.212 240 W CA 2.106 59.292 57.345 -0.265 0.000 1.264 240 W CB 0.197 29.491 29.460 -0.277 0.000 1.142 240 W HN 0.957 nan 8.180 nan 0.000 0.512 241 E N 0.770 120.751 120.200 -0.365 0.000 2.204 241 E HA -0.296 4.053 4.350 -0.002 0.000 0.194 241 E C 1.740 177.905 176.600 -0.725 0.000 0.989 241 E CA 1.751 57.853 56.400 -0.496 0.000 0.824 241 E CB -0.962 28.670 29.700 -0.113 0.000 0.756 241 E HN 0.596 nan 8.360 nan 0.000 0.477 242 E N 1.329 120.942 120.200 -0.978 0.000 2.112 242 E HA -0.064 4.285 4.350 -0.002 0.000 0.190 242 E C 2.078 178.061 176.600 -1.030 0.000 0.979 242 E CA 0.907 56.494 56.400 -1.355 0.000 0.814 242 E CB -0.081 28.784 29.700 -1.392 0.000 0.762 242 E HN 0.253 nan 8.360 nan 0.000 0.460 243 A N 1.042 123.371 122.820 -0.818 0.000 1.898 243 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 243 A C 2.124 179.331 177.584 -0.628 0.000 1.181 243 A CA 1.494 53.137 52.037 -0.657 0.000 0.620 243 A CB -0.483 18.401 19.000 -0.193 0.000 0.819 243 A HN 0.342 nan 8.150 nan 0.000 0.442 244 Q N -1.008 118.294 119.800 -0.830 0.000 2.050 244 Q HA -0.274 4.065 4.340 -0.002 0.000 0.202 244 Q C 2.347 178.077 176.000 -0.450 0.000 0.980 244 Q CA 1.861 57.237 55.803 -0.711 0.000 0.840 244 Q CB -0.215 28.011 28.738 -0.853 0.000 0.898 244 Q HN 0.850 nan 8.270 nan 0.000 0.424 245 Q N -0.022 119.510 119.800 -0.447 0.000 2.124 245 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 245 Q C 1.751 177.574 176.000 -0.294 0.000 0.977 245 Q CA 1.723 57.356 55.803 -0.283 0.000 0.850 245 Q CB 0.132 28.771 28.738 -0.164 0.000 0.901 245 Q HN 0.310 nan 8.270 nan 0.000 0.429 246 T N 0.313 114.604 114.554 -0.438 0.000 2.788 246 T HA -0.100 4.249 4.350 -0.002 0.000 0.268 246 T C 1.778 176.333 174.700 -0.242 0.000 1.044 246 T CA 1.069 62.911 62.100 -0.431 0.000 1.139 246 T CB -0.368 68.066 68.868 -0.724 0.000 0.867 246 T HN 0.462 nan 8.240 nan 0.000 0.454 247 A N 1.355 124.041 122.820 -0.224 0.000 1.978 247 A HA 0.091 4.410 4.320 -0.002 0.000 0.220 247 A C 2.573 180.108 177.584 -0.081 0.000 1.170 247 A CA 1.805 53.774 52.037 -0.113 0.000 0.636 247 A CB -1.197 17.735 19.000 -0.113 0.000 0.810 247 A HN 0.525 nan 8.150 nan 0.000 0.448 248 G N -1.129 107.606 108.800 -0.107 0.000 2.430 248 G HA2 -0.060 3.899 3.960 -0.002 0.000 0.216 248 G HA3 -0.060 3.899 3.960 -0.002 0.000 0.216 248 G C 1.635 176.503 174.900 -0.054 0.000 1.146 248 G CA 0.692 45.750 45.100 -0.070 0.000 0.793 248 G HN 0.384 nan 8.290 nan 0.000 0.537 249 K N -0.321 120.036 120.400 -0.072 0.000 2.202 249 K HA 0.069 4.388 4.320 -0.002 0.000 0.201 249 K C 0.114 176.702 176.600 -0.020 0.000 1.051 249 K CA 0.246 56.502 56.287 -0.051 0.000 0.977 249 K CB 0.271 32.724 32.500 -0.078 0.000 0.792 249 K HN 0.233 nan 8.250 nan 0.000 0.469 250 N N -0.130 118.564 118.700 -0.011 0.000 2.701 250 N HA 0.191 4.930 4.740 -0.002 0.000 0.258 250 N C -0.162 175.394 175.510 0.077 0.000 1.262 250 N CA 0.052 53.135 53.050 0.055 0.000 0.780 250 N CB 1.168 39.739 38.487 0.140 0.000 1.380 250 N HN -0.051 nan 8.380 nan 0.000 0.548 251 A N 1.482 124.333 122.820 0.051 0.000 2.076 251 A HA -0.110 4.209 4.320 -0.002 0.000 0.220 251 A C 0.948 178.594 177.584 0.102 0.000 1.160 251 A CA 1.317 53.392 52.037 0.064 0.000 0.653 251 A CB -0.001 19.025 19.000 0.043 0.000 0.801 251 A HN 0.615 nan 8.150 nan 0.000 0.455 252 D N -1.656 118.805 120.400 0.101 0.000 2.342 252 D HA 0.163 4.802 4.640 -0.002 0.000 0.221 252 D C 0.325 176.696 176.300 0.118 0.000 1.101 252 D CA -0.351 53.708 54.000 0.097 0.000 0.837 252 D CB -0.126 40.698 40.800 0.040 0.000 0.938 252 D HN 0.420 nan 8.370 nan 0.000 0.508 256 Q N 1.739 121.571 119.800 0.054 0.000 2.079 256 Q HA -0.164 4.175 4.340 -0.002 0.000 0.200 256 Q C 1.525 177.540 176.000 0.025 0.000 0.974 256 Q CA 2.245 58.070 55.803 0.037 0.000 0.840 256 Q CB -0.084 28.629 28.738 -0.041 0.000 0.898 256 Q HN 0.451 nan 8.270 nan 0.000 0.430 257 D N 0.030 120.344 120.400 -0.144 0.000 2.133 257 D HA -0.210 4.429 4.640 -0.002 0.000 0.195 257 D C 1.959 178.269 176.300 0.016 0.000 0.997 257 D CA 1.215 55.130 54.000 -0.142 0.000 0.840 257 D CB 0.046 40.676 40.800 -0.284 0.000 0.947 257 D HN 0.323 nan 8.370 nan 0.000 0.452 258 L N 0.065 121.348 121.223 0.100 0.000 2.027 258 L HA -0.048 4.291 4.340 -0.002 0.000 0.206 258 L C 2.321 179.293 176.870 0.170 0.000 1.074 258 L CA 1.410 56.345 54.840 0.158 0.000 0.745 258 L CB -1.164 41.045 42.059 0.250 0.000 0.898 258 L HN 0.053 nan 8.230 nan 0.000 0.433 259 F N 0.253 120.257 119.950 0.089 0.000 2.069 259 F HA -0.269 4.257 4.527 -0.002 0.000 0.298 259 F C 2.475 178.320 175.800 0.075 0.000 1.113 259 F CA 2.084 60.140 58.000 0.093 0.000 1.214 259 F CB -0.320 38.733 39.000 0.089 0.000 0.978 259 F HN 0.203 nan 8.300 nan 0.000 0.474 260 Q N -0.137 119.766 119.800 0.172 0.000 2.124 260 Q HA -0.178 4.161 4.340 -0.002 0.000 0.202 260 Q C 2.489 178.470 176.000 -0.031 0.000 0.977 260 Q CA 1.915 57.750 55.803 0.054 0.000 0.850 260 Q CB -0.376 28.434 28.738 0.120 0.000 0.901 260 Q HN 0.591 nan 8.270 nan 0.000 0.429 261 S N 0.550 116.248 115.700 -0.002 0.000 2.368 261 S HA -0.137 4.332 4.470 -0.002 0.000 0.225 261 S C 1.948 176.542 174.600 -0.010 0.000 1.030 261 S CA 0.833 59.026 58.200 -0.012 0.000 0.999 261 S CB -0.453 62.750 63.200 0.006 0.000 0.844 261 S HN 0.294 nan 8.310 nan 0.000 0.459 262 I N 1.538 122.126 120.570 0.031 0.000 2.252 262 I HA -0.155 4.014 4.170 -0.002 0.000 0.245 262 I C 2.951 179.103 176.117 0.057 0.000 1.102 262 I CA 1.192 62.582 61.300 0.150 0.000 1.385 262 I CB -0.419 37.648 38.000 0.112 0.000 1.064 262 I HN 0.308 nan 8.210 nan 0.000 0.414 263 Q N 0.605 120.311 119.800 -0.157 0.000 2.181 263 Q HA -0.167 4.172 4.340 -0.002 0.000 0.205 263 Q C 2.259 178.212 176.000 -0.079 0.000 0.980 263 Q CA 1.772 57.478 55.803 -0.162 0.000 0.862 263 Q CB -0.435 28.131 28.738 -0.287 0.000 0.905 263 Q HN 0.571 nan 8.270 nan 0.000 0.429 264 A N -0.421 122.345 122.820 -0.090 0.000 2.238 264 A HA 0.303 4.622 4.320 -0.002 0.000 0.208 264 A C 1.522 178.987 177.584 -0.199 0.000 1.177 264 A CA 1.008 52.984 52.037 -0.102 0.000 0.804 264 A CB -0.218 18.736 19.000 -0.078 0.000 0.823 264 A HN 0.437 nan 8.150 nan 0.000 0.482 265 G N -0.692 107.918 108.800 -0.317 0.000 2.143 265 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.249 265 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.249 265 G C 0.335 174.613 174.900 -1.037 0.000 0.981 265 G CA 0.306 44.905 45.100 -0.834 0.000 0.665 265 G HN 0.580 nan 8.290 nan 0.000 0.528 266 R N 0.256 120.436 120.500 -0.533 0.000 3.657 266 R HA 0.402 4.741 4.340 -0.002 0.000 0.220 266 R C -0.393 175.812 176.300 -0.159 0.000 1.548 266 R CA -0.460 55.452 56.100 -0.315 0.000 1.465 266 R CB -0.175 30.032 30.300 -0.155 0.000 1.330 266 R HN 0.160 nan 8.270 nan 0.000 0.707 267 F N 3.557 123.486 119.950 -0.035 0.000 2.471 267 F HA 0.219 4.745 4.527 -0.002 0.000 0.365 267 F C -1.407 174.358 175.800 -0.058 0.000 1.095 267 F CA -3.268 54.718 58.000 -0.022 0.000 1.174 267 F CB 0.098 39.101 39.000 0.005 0.000 1.105 267 F HN 0.218 nan 8.300 nan 0.000 0.535 268 P HA 0.227 nan 4.420 nan 0.000 0.278 268 P C -0.917 176.301 177.300 -0.137 0.000 1.238 268 P CA -0.311 62.701 63.100 -0.147 0.000 0.794 268 P CB 1.444 33.029 31.700 -0.191 0.000 0.955 269 E N 1.052 120.998 120.200 -0.424 0.000 2.343 269 E HA 0.503 4.852 4.350 -0.002 0.000 0.270 269 E C -1.004 175.358 176.600 -0.396 0.000 0.895 269 E CA -0.494 55.816 56.400 -0.149 0.000 0.767 269 E CB 2.068 31.755 29.700 -0.021 0.000 1.248 269 E HN 0.483 nan 8.360 nan 0.000 0.440 270 W N 0.942 122.330 121.300 0.146 0.000 3.127 270 W HA 0.305 4.963 4.660 -0.002 0.000 0.330 270 W C -0.487 176.254 176.519 0.370 0.000 1.187 270 W CA -0.534 56.965 57.345 0.257 0.000 1.198 270 W CB 1.934 31.584 29.460 0.317 0.000 1.408 270 W HN 0.430 nan 8.180 nan 0.000 0.529 271 E N 1.952 122.475 120.200 0.539 0.000 2.174 271 E HA 0.225 4.573 4.350 -0.002 0.000 0.282 271 E C -0.628 176.214 176.600 0.403 0.000 0.992 271 E CA -0.987 55.653 56.400 0.399 0.000 0.803 271 E CB 2.112 31.961 29.700 0.248 0.000 1.090 271 E HN 0.124 nan 8.360 nan 0.000 0.396 272 L N 3.044 124.434 121.223 0.279 0.000 2.360 272 L HA 0.386 4.725 4.340 -0.002 0.000 0.276 272 L C 0.022 176.819 176.870 -0.122 0.000 1.121 272 L CA 0.610 55.316 54.840 -0.223 0.000 0.845 272 L CB 0.581 42.475 42.059 -0.275 0.000 1.143 272 L HN 0.551 nan 8.230 nan 0.000 0.452 273 G N 4.127 112.842 108.800 -0.141 0.000 2.574 273 G HA2 0.656 4.615 3.960 -0.002 0.000 0.299 273 G HA3 0.656 4.615 3.960 -0.002 0.000 0.299 273 G C -1.600 173.273 174.900 -0.046 0.000 1.298 273 G CA -0.244 44.806 45.100 -0.084 0.000 0.952 273 G HN 0.868 nan 8.290 nan 0.000 0.477 274 V N -1.438 118.414 119.914 -0.104 0.000 2.709 274 V HA 0.612 4.731 4.120 -0.002 0.000 0.308 274 V C -0.487 175.561 176.094 -0.077 0.000 1.062 274 V CA -1.135 61.101 62.300 -0.105 0.000 0.901 274 V CB 1.589 33.265 31.823 -0.245 0.000 1.003 274 V HN 0.720 nan 8.190 nan 0.000 0.425 275 Q N 3.946 123.740 119.800 -0.010 0.000 2.344 275 Q HA 0.531 4.870 4.340 -0.002 0.000 0.253 275 Q C -0.669 175.319 176.000 -0.020 0.000 1.050 275 Q CA -0.069 55.730 55.803 -0.007 0.000 0.912 275 Q CB 1.387 30.160 28.738 0.058 0.000 1.258 275 Q HN 0.744 nan 8.270 nan 0.000 0.443 276 I N 4.083 124.641 120.570 -0.020 0.000 2.325 276 I HA 0.262 4.431 4.170 -0.002 0.000 0.291 276 I C 0.015 176.154 176.117 0.036 0.000 1.019 276 I CA 0.189 61.480 61.300 -0.015 0.000 1.302 276 I CB 0.502 38.492 38.000 -0.016 0.000 1.401 276 I HN 0.486 nan 8.210 nan 0.000 0.485 277 M N 4.916 124.540 119.600 0.040 0.000 2.658 277 M HA 0.429 4.908 4.480 -0.002 0.000 0.295 277 M C -0.865 175.457 176.300 0.037 0.000 1.248 277 M CA -0.932 54.417 55.300 0.081 0.000 0.843 277 M CB 2.266 34.956 32.600 0.151 0.000 1.749 277 M HN 0.374 nan 8.290 nan 0.000 0.464 278 Q N 0.949 120.764 119.800 0.026 0.000 2.205 278 Q HA 0.249 4.588 4.340 -0.002 0.000 0.249 278 Q C 0.470 176.460 176.000 -0.016 0.000 0.948 278 Q CA -0.300 55.501 55.803 -0.003 0.000 0.895 278 Q CB 1.211 29.938 28.738 -0.018 0.000 1.249 278 Q HN 0.605 nan 8.270 nan 0.000 0.458 279 E N 1.047 121.237 120.200 -0.018 0.000 2.171 279 E HA -0.212 4.137 4.350 -0.002 0.000 0.197 279 E C 1.168 177.744 176.600 -0.039 0.000 0.997 279 E CA 1.369 57.757 56.400 -0.020 0.000 0.810 279 E CB 0.292 29.983 29.700 -0.015 0.000 0.738 279 E HN 0.481 nan 8.360 nan 0.000 0.467 280 Q N 0.366 120.133 119.800 -0.055 0.000 2.482 280 Q HA -0.029 4.310 4.340 -0.002 0.000 0.209 280 Q C 0.637 176.552 176.000 -0.142 0.000 0.961 280 Q CA 0.503 56.257 55.803 -0.082 0.000 0.945 280 Q CB 0.258 28.951 28.738 -0.074 0.000 1.012 280 Q HN 0.143 nan 8.270 nan 0.000 0.515 281 D N -0.280 120.024 120.400 -0.159 0.000 2.328 281 D HA -0.014 4.625 4.640 -0.002 0.000 0.221 281 D C 0.966 177.108 176.300 -0.264 0.000 1.072 281 D CA 0.154 53.968 54.000 -0.309 0.000 0.850 281 D CB 0.277 40.918 40.800 -0.264 0.000 0.922 281 D HN 0.360 nan 8.370 nan 0.000 0.516 282 Q N -0.187 119.532 119.800 -0.136 0.000 2.170 282 Q HA -0.012 4.327 4.340 -0.002 0.000 0.203 282 Q C 1.632 177.571 176.000 -0.101 0.000 0.976 282 Q CA 0.884 56.646 55.803 -0.067 0.000 0.858 282 Q CB 0.346 29.072 28.738 -0.019 0.000 0.907 282 Q HN 0.325 nan 8.270 nan 0.000 0.433 283 L N -0.516 120.615 121.223 -0.154 0.000 2.840 283 L HA 0.096 4.435 4.340 -0.002 0.000 0.249 283 L C 2.019 178.756 176.870 -0.221 0.000 1.119 283 L CA -0.032 54.724 54.840 -0.139 0.000 0.930 283 L CB 0.053 42.075 42.059 -0.062 0.000 1.295 283 L HN 0.076 nan 8.230 nan 0.000 0.534 284 K N 0.912 121.111 120.400 -0.335 0.000 2.211 284 K HA -0.158 4.161 4.320 -0.002 0.000 0.204 284 K C 1.395 177.775 176.600 -0.367 0.000 1.047 284 K CA 1.696 57.759 56.287 -0.374 0.000 0.935 284 K CB -0.225 31.983 32.500 -0.486 0.000 0.728 284 K HN 0.129 nan 8.250 nan 0.000 0.452 285 F N 0.659 120.431 119.950 -0.296 0.000 2.780 285 F HA 0.235 4.761 4.527 -0.002 0.000 0.299 285 F C 1.686 177.335 175.800 -0.252 0.000 1.146 285 F CA 0.723 58.524 58.000 -0.331 0.000 1.428 285 F CB 0.331 38.966 39.000 -0.608 0.000 1.115 285 F HN 0.404 nan 8.300 nan 0.000 0.583 286 G N 0.050 108.806 108.800 -0.073 0.000 2.176 286 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.232 286 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.232 286 G C 0.051 175.066 174.900 0.191 0.000 0.986 286 G CA 0.034 45.181 45.100 0.079 0.000 0.643 286 G HN 0.397 nan 8.290 nan 0.000 0.522 287 F N -1.225 118.808 119.950 0.137 0.000 2.685 287 F HA 0.794 5.320 4.527 -0.002 0.000 0.315 287 F C -0.967 174.904 175.800 0.119 0.000 1.126 287 F CA -1.980 56.084 58.000 0.107 0.000 0.950 287 F CB 0.949 39.992 39.000 0.072 0.000 1.360 287 F HN -0.054 nan 8.300 nan 0.000 0.469 288 D N 1.559 122.139 120.400 0.300 0.000 2.249 288 D HA 0.292 4.931 4.640 -0.002 0.000 0.246 288 D C 0.838 177.289 176.300 0.252 0.000 1.114 288 D CA -0.218 53.908 54.000 0.210 0.000 0.854 288 D CB 1.675 42.675 40.800 0.332 0.000 1.132 288 D HN 0.759 nan 8.370 nan 0.000 0.461 289 L N 3.387 124.711 121.223 0.169 0.000 2.353 289 L HA -0.101 4.238 4.340 -0.002 0.000 0.220 289 L C 1.940 178.891 176.870 0.135 0.000 1.133 289 L CA 0.585 55.538 54.840 0.189 0.000 0.798 289 L CB -0.060 42.082 42.059 0.138 0.000 0.922 289 L HN 0.448 nan 8.230 nan 0.000 0.445 290 L N -0.993 120.324 121.223 0.156 0.000 2.599 290 L HA 0.023 4.362 4.340 -0.002 0.000 0.230 290 L C 0.501 177.418 176.870 0.078 0.000 1.141 290 L CA -0.003 54.939 54.840 0.171 0.000 0.877 290 L CB -0.308 41.918 42.059 0.278 0.000 1.009 290 L HN 0.114 nan 8.230 nan 0.000 0.447 291 D N 1.797 122.092 120.400 -0.176 0.000 2.380 291 D HA 0.118 4.757 4.640 -0.002 0.000 0.230 291 D C -1.583 174.535 176.300 -0.304 0.000 1.154 291 D CA -2.374 51.212 54.000 -0.690 0.000 0.859 291 D CB 1.473 41.742 40.800 -0.886 0.000 1.045 291 D HN -0.066 nan 8.370 nan 0.000 0.495 292 P HA -0.041 nan 4.420 nan 0.000 0.242 292 P C 0.799 177.986 177.300 -0.188 0.000 1.197 292 P CA 0.526 63.548 63.100 -0.130 0.000 0.765 292 P CB -0.084 31.611 31.700 -0.007 0.000 0.936 293 T N -4.182 110.237 114.554 -0.224 0.000 3.107 293 T HA 0.145 4.494 4.350 -0.002 0.000 0.249 293 T C 0.705 175.305 174.700 -0.167 0.000 1.096 293 T CA -0.101 61.869 62.100 -0.217 0.000 1.012 293 T CB -0.204 68.547 68.868 -0.194 0.000 0.977 293 T HN -0.122 nan 8.240 nan 0.000 0.527 294 K N 2.266 122.533 120.400 -0.223 0.000 2.270 294 K HA 0.529 4.848 4.320 -0.002 0.000 0.255 294 K C 0.148 176.558 176.600 -0.315 0.000 0.936 294 K CA -0.899 55.210 56.287 -0.297 0.000 0.809 294 K CB 2.433 34.673 32.500 -0.433 0.000 1.131 294 K HN 0.495 nan 8.250 nan 0.000 0.427 295 I N -1.389 119.008 120.570 -0.289 0.000 2.713 295 I HA 0.373 4.542 4.170 -0.002 0.000 0.300 295 I C -0.097 175.882 176.117 -0.232 0.000 1.009 295 I CA -1.075 60.100 61.300 -0.209 0.000 1.305 295 I CB 1.118 39.083 38.000 -0.059 0.000 1.430 295 I HN 0.013 nan 8.210 nan 0.000 0.546 296 V N 4.817 124.715 119.914 -0.026 0.000 2.318 296 V HA 0.326 4.445 4.120 -0.002 0.000 0.271 296 V C -2.107 174.000 176.094 0.021 0.000 1.030 296 V CA -1.552 60.777 62.300 0.048 0.000 0.844 296 V CB 0.412 32.263 31.823 0.047 0.000 1.015 296 V HN 0.686 nan 8.190 nan 0.000 0.460 297 P HA 0.105 nan 4.420 nan 0.000 0.266 297 P C 0.749 178.060 177.300 0.019 0.000 1.195 297 P CA 0.060 63.186 63.100 0.043 0.000 0.768 297 P CB 0.732 32.456 31.700 0.040 0.000 0.838 298 E N 1.239 121.470 120.200 0.050 0.000 2.338 298 E HA -0.186 4.163 4.350 -0.002 0.000 0.197 298 E C 1.101 177.708 176.600 0.013 0.000 1.007 298 E CA 0.885 57.299 56.400 0.023 0.000 0.849 298 E CB -0.057 29.664 29.700 0.035 0.000 0.774 298 E HN 0.531 nan 8.360 nan 0.000 0.506 299 E N 0.453 120.664 120.200 0.019 0.000 2.204 299 E HA -0.143 4.206 4.350 -0.002 0.000 0.195 299 E C 1.735 178.340 176.600 0.009 0.000 0.990 299 E CA 0.760 57.171 56.400 0.018 0.000 0.821 299 E CB 0.046 29.760 29.700 0.024 0.000 0.750 299 E HN 0.266 nan 8.360 nan 0.000 0.477 300 L N -0.716 120.490 121.223 -0.028 0.000 2.221 300 L HA 0.130 4.469 4.340 -0.002 0.000 0.202 300 L C 0.030 176.865 176.870 -0.057 0.000 1.074 300 L CA 0.273 55.071 54.840 -0.070 0.000 0.795 300 L CB 0.563 42.458 42.059 -0.274 0.000 0.960 300 L HN -0.109 nan 8.230 nan 0.000 0.458 301 V N 0.927 120.798 119.914 -0.071 0.000 2.567 301 V HA 0.317 4.436 4.120 -0.002 0.000 0.298 301 V C -2.417 173.667 176.094 -0.017 0.000 1.047 301 V CA -1.367 60.919 62.300 -0.024 0.000 0.880 301 V CB 1.858 33.663 31.823 -0.030 0.000 1.009 301 V HN -0.041 nan 8.190 nan 0.000 0.429 302 P HA 0.239 nan 4.420 nan 0.000 0.274 302 P C -0.470 176.800 177.300 -0.049 0.000 1.237 302 P CA -0.139 62.952 63.100 -0.015 0.000 0.793 302 P CB 1.426 33.131 31.700 0.009 0.000 0.977 303 V N 2.208 122.068 119.914 -0.090 0.000 2.408 303 V HA 0.109 4.228 4.120 -0.002 0.000 0.267 303 V C 0.782 176.839 176.094 -0.060 0.000 1.047 303 V CA 0.268 62.481 62.300 -0.144 0.000 0.937 303 V CB 0.162 31.821 31.823 -0.272 0.000 0.999 303 V HN 0.541 nan 8.190 nan 0.000 0.472 304 T N 6.991 121.512 114.554 -0.056 0.000 2.749 304 T HA 0.417 4.766 4.350 -0.002 0.000 0.295 304 T C 0.087 174.751 174.700 -0.059 0.000 0.936 304 T CA -0.215 61.872 62.100 -0.022 0.000 1.060 304 T CB 0.323 69.169 68.868 -0.036 0.000 0.904 304 T HN 0.274 nan 8.240 nan 0.000 0.500 305 I N 4.751 125.350 120.570 0.047 0.000 2.371 305 I HA 0.184 4.353 4.170 -0.002 0.000 0.290 305 I C 1.088 177.241 176.117 0.060 0.000 1.028 305 I CA -0.134 61.208 61.300 0.070 0.000 1.345 305 I CB 1.157 39.282 38.000 0.210 0.000 1.407 305 I HN 0.674 nan 8.210 nan 0.000 0.501 306 L N 5.134 126.270 121.223 -0.145 0.000 2.357 306 L HA 0.354 4.693 4.340 -0.002 0.000 0.211 306 L C 1.054 177.913 176.870 -0.018 0.000 1.075 306 L CA 0.282 54.937 54.840 -0.308 0.000 0.830 306 L CB 0.174 41.900 42.059 -0.556 0.000 0.996 306 L HN 0.820 nan 8.230 nan 0.000 0.467 307 G N -0.336 108.249 108.800 -0.359 0.000 2.321 307 G HA2 0.276 4.235 3.960 -0.002 0.000 0.296 307 G HA3 0.276 4.235 3.960 -0.002 0.000 0.296 307 G C -2.009 172.494 174.900 -0.661 0.000 1.287 307 G CA -0.599 43.929 45.100 -0.953 0.000 0.846 307 G HN -0.153 nan 8.290 nan 0.000 0.508 308 K N -0.332 119.680 120.400 -0.646 0.000 2.427 308 K HA 0.683 5.002 4.320 -0.002 0.000 0.252 308 K C -0.656 176.052 176.600 0.180 0.000 0.931 308 K CA -0.754 55.515 56.287 -0.030 0.000 0.793 308 K CB 2.056 34.590 32.500 0.057 0.000 1.211 308 K HN 0.646 nan 8.250 nan 0.000 0.426 309 M N 3.703 123.612 119.600 0.514 0.000 2.209 309 M HA 0.256 4.735 4.480 -0.002 0.000 0.355 309 M C -1.204 175.265 176.300 0.282 0.000 1.171 309 M CA -0.245 55.289 55.300 0.389 0.000 1.069 309 M CB 1.391 34.074 32.600 0.138 0.000 1.622 309 M HN 0.685 nan 8.290 nan 0.000 0.459 310 Q N 5.041 124.951 119.800 0.182 0.000 2.330 310 Q HA 0.506 4.845 4.340 -0.002 0.000 0.269 310 Q C -1.988 174.054 176.000 0.069 0.000 1.022 310 Q CA -0.688 55.205 55.803 0.149 0.000 0.796 310 Q CB 1.727 30.526 28.738 0.103 0.000 1.271 310 Q HN 0.834 nan 8.270 nan 0.000 0.450 311 L N 4.256 125.547 121.223 0.114 0.000 2.265 311 L HA 0.386 4.725 4.340 -0.002 0.000 0.288 311 L C 0.137 176.957 176.870 -0.083 0.000 1.058 311 L CA -0.343 54.510 54.840 0.020 0.000 0.809 311 L CB 0.599 42.712 42.059 0.091 0.000 1.179 311 L HN 0.758 nan 8.230 nan 0.000 0.429 312 N N 2.049 120.592 118.700 -0.261 0.000 2.110 312 N HA 0.144 4.883 4.740 -0.002 0.000 0.230 312 N C -0.230 175.044 175.510 -0.393 0.000 1.353 312 N CA -0.600 52.001 53.050 -0.749 0.000 0.807 312 N CB 0.657 38.334 38.487 -1.350 0.000 1.244 312 N HN 0.503 nan 8.380 nan 0.000 0.504 313 R N 0.231 120.677 120.500 -0.089 0.000 2.522 313 R HA 0.335 4.674 4.340 -0.002 0.000 0.273 313 R C -1.511 174.883 176.300 0.158 0.000 1.133 313 R CA -0.512 55.609 56.100 0.035 0.000 0.969 313 R CB 0.844 31.168 30.300 0.039 0.000 1.235 313 R HN 0.019 nan 8.270 nan 0.000 0.433 314 N N 3.543 122.327 118.700 0.140 0.000 2.483 314 N HA 0.286 5.025 4.740 -0.002 0.000 0.269 314 N C -2.209 173.503 175.510 0.338 0.000 1.209 314 N CA -1.189 51.994 53.050 0.222 0.000 0.969 314 N CB 0.664 39.259 38.487 0.181 0.000 1.173 314 N HN 0.407 nan 8.380 nan 0.000 0.475 318 Y N 4.729 125.107 120.300 0.130 0.000 2.128 318 Y HA -0.170 4.379 4.550 -0.002 0.000 0.284 318 Y C 1.803 177.778 175.900 0.124 0.000 1.154 318 Y CA 2.011 60.190 58.100 0.130 0.000 1.149 318 Y CB -0.219 38.310 38.460 0.116 0.000 0.976 318 Y HN 0.647 nan 8.280 nan 0.000 0.505 319 F N 0.519 120.637 119.950 0.280 0.000 2.069 319 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 319 F C 2.413 178.225 175.800 0.020 0.000 1.113 319 F CA 2.098 60.192 58.000 0.158 0.000 1.214 319 F CB -0.960 38.118 39.000 0.129 0.000 0.978 319 F HN 0.081 nan 8.300 nan 0.000 0.474 320 A N -0.443 122.484 122.820 0.177 0.000 1.940 320 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 320 A C 2.042 179.525 177.584 -0.169 0.000 1.176 320 A CA 2.155 54.204 52.037 0.020 0.000 0.631 320 A CB -0.675 18.394 19.000 0.114 0.000 0.814 320 A HN 0.629 nan 8.150 nan 0.000 0.446 321 E N -1.996 118.102 120.200 -0.171 0.000 2.134 321 E HA -0.003 4.346 4.350 -0.002 0.000 0.194 321 E C 2.089 178.435 176.600 -0.423 0.000 0.937 321 E CA 0.975 57.196 56.400 -0.298 0.000 0.874 321 E CB -0.116 29.494 29.700 -0.150 0.000 0.853 321 E HN 0.454 nan 8.360 nan 0.000 0.471 322 T N 1.108 115.443 114.554 -0.365 0.000 2.809 322 T HA -0.121 4.228 4.350 -0.002 0.000 0.260 322 T C 1.823 176.265 174.700 -0.430 0.000 1.039 322 T CA 1.403 63.270 62.100 -0.388 0.000 1.141 322 T CB -0.126 68.267 68.868 -0.792 0.000 0.869 322 T HN 0.019 nan 8.240 nan 0.000 0.437 323 E N 1.541 121.428 120.200 -0.521 0.000 2.110 323 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 323 E C 2.086 178.461 176.600 -0.376 0.000 0.988 323 E CA 1.276 57.462 56.400 -0.357 0.000 0.804 323 E CB -0.142 29.373 29.700 -0.308 0.000 0.745 323 E HN 0.494 nan 8.360 nan 0.000 0.458 324 Q N -0.425 119.088 119.800 -0.479 0.000 2.403 324 Q HA 0.107 4.446 4.340 -0.002 0.000 0.203 324 Q C -0.024 175.802 176.000 -0.290 0.000 0.932 324 Q CA -0.110 55.467 55.803 -0.376 0.000 0.945 324 Q CB 0.716 29.228 28.738 -0.377 0.000 1.045 324 Q HN 0.117 nan 8.270 nan 0.000 0.511 325 V N 1.574 121.303 119.914 -0.308 0.000 2.585 325 V HA 0.019 4.138 4.120 -0.002 0.000 0.296 325 V C -0.198 175.728 176.094 -0.281 0.000 1.035 325 V CA 0.693 62.778 62.300 -0.359 0.000 1.084 325 V CB 0.488 32.058 31.823 -0.422 0.000 0.953 325 V HN 0.261 nan 8.190 nan 0.000 0.483 326 M N 8.269 127.679 119.600 -0.317 0.000 2.016 326 M HA 0.426 4.905 4.480 -0.002 0.000 0.315 326 M C -1.064 175.148 176.300 -0.146 0.000 0.930 326 M CA -0.048 55.143 55.300 -0.180 0.000 0.899 326 M CB 1.074 33.569 32.600 -0.175 0.000 1.401 326 M HN 0.473 nan 8.290 nan 0.000 0.386 327 F N 1.856 121.771 119.950 -0.059 0.000 2.418 327 F HA 0.343 4.869 4.527 -0.002 0.000 0.341 327 F C 0.658 176.385 175.800 -0.122 0.000 1.120 327 F CA 0.376 58.333 58.000 -0.072 0.000 1.232 327 F CB 0.714 39.637 39.000 -0.129 0.000 1.175 327 F HN 0.399 nan 8.300 nan 0.000 0.569 328 Q N 3.383 123.111 119.800 -0.120 0.000 2.284 328 Q HA 0.211 4.550 4.340 -0.002 0.000 0.269 328 Q C -2.165 173.594 176.000 -0.402 0.000 1.026 328 Q CA -1.791 53.760 55.803 -0.420 0.000 0.831 328 Q CB 2.501 30.790 28.738 -0.750 0.000 1.322 328 Q HN 0.232 nan 8.270 nan 0.000 0.419 329 P HA -0.124 nan 4.420 nan 0.000 0.222 329 P C 1.125 178.434 177.300 0.014 0.000 1.147 329 P CA 1.080 64.052 63.100 -0.213 0.000 0.790 329 P CB 0.208 31.751 31.700 -0.263 0.000 0.780 330 G N -1.259 107.472 108.800 -0.116 0.000 2.598 330 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.215 330 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.215 330 G C 0.465 175.402 174.900 0.063 0.000 1.131 330 G CA 0.168 45.270 45.100 0.003 0.000 0.785 330 G HN 0.329 nan 8.290 nan 0.000 0.539 331 H N 0.209 119.296 119.070 0.029 0.000 3.216 331 H HA 0.329 4.884 4.556 -0.002 0.000 0.263 331 H C -0.130 175.270 175.328 0.120 0.000 1.601 331 H CA -0.494 55.567 56.048 0.021 0.000 1.509 331 H CB -0.174 29.566 29.762 -0.037 0.000 1.759 331 H HN 0.220 nan 8.280 nan 0.000 0.533 332 I N 2.062 122.749 120.570 0.195 0.000 2.846 332 I HA 0.431 4.600 4.170 -0.002 0.000 0.307 332 I C -0.429 175.701 176.117 0.022 0.000 1.053 332 I CA -1.136 60.252 61.300 0.147 0.000 1.050 332 I CB 1.778 39.760 38.000 -0.028 0.000 1.239 332 I HN 0.165 nan 8.210 nan 0.000 0.439 333 V N 3.038 122.907 119.914 -0.075 0.000 3.001 333 V HA 0.585 4.704 4.120 -0.002 0.000 0.314 333 V C -0.075 176.029 176.094 0.016 0.000 1.099 333 V CA -1.081 61.196 62.300 -0.038 0.000 0.989 333 V CB 1.546 33.284 31.823 -0.142 0.000 1.040 333 V HN 0.904 nan 8.190 nan 0.000 0.434 334 R N 1.060 121.601 120.500 0.069 0.000 2.523 334 R HA 0.358 4.697 4.340 -0.002 0.000 0.281 334 R C 1.187 177.375 176.300 -0.187 0.000 0.969 334 R CA 1.635 57.691 56.100 -0.073 0.000 1.093 334 R CB -0.141 30.172 30.300 0.020 0.000 0.917 334 R HN 2.018 nan 8.270 nan 0.000 0.408 335 G N 2.033 110.626 108.800 -0.346 0.000 2.201 335 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.212 335 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.212 335 G C -0.546 174.178 174.900 -0.293 0.000 0.994 335 G CA -0.071 44.855 45.100 -0.289 0.000 0.644 335 G HN 0.576 nan 8.290 nan 0.000 0.508 336 V N 0.239 119.968 119.914 -0.308 0.000 2.876 336 V HA 0.849 4.968 4.120 -0.002 0.000 0.312 336 V C -0.531 175.435 176.094 -0.213 0.000 1.085 336 V CA -0.432 61.733 62.300 -0.225 0.000 0.945 336 V CB 2.121 33.779 31.823 -0.276 0.000 1.017 336 V HN 0.313 nan 8.190 nan 0.000 0.428 337 D N 0.315 120.611 120.400 -0.174 0.000 2.596 337 D HA 0.606 5.245 4.640 -0.002 0.000 0.262 337 D C -1.127 175.079 176.300 -0.157 0.000 1.210 337 D CA -0.400 53.443 54.000 -0.262 0.000 0.873 337 D CB 1.883 42.561 40.800 -0.204 0.000 1.408 337 D HN 0.159 nan 8.370 nan 0.000 0.441 338 F N 0.013 120.067 119.950 0.173 0.000 2.362 338 F HA 0.510 5.036 4.527 -0.002 0.000 0.311 338 F C 1.402 177.185 175.800 -0.028 0.000 1.161 338 F CA -0.363 57.672 58.000 0.059 0.000 1.085 338 F CB 0.865 39.874 39.000 0.015 0.000 1.311 338 F HN 0.205 nan 8.300 nan 0.000 0.524 339 T N -3.127 111.470 114.554 0.073 0.000 2.888 339 T HA 0.427 4.776 4.350 -0.002 0.000 0.288 339 T C 0.028 174.718 174.700 -0.016 0.000 1.063 339 T CA -0.769 61.337 62.100 0.011 0.000 1.010 339 T CB 1.529 70.373 68.868 -0.040 0.000 1.214 339 T HN 0.400 nan 8.240 nan 0.000 0.533 340 E N 0.618 120.819 120.200 0.001 0.000 2.485 340 E HA 0.106 4.455 4.350 -0.002 0.000 0.194 340 E C 0.118 176.725 176.600 0.011 0.000 1.098 340 E CA -0.075 56.324 56.400 -0.002 0.000 0.878 340 E CB -0.289 29.419 29.700 0.013 0.000 0.939 340 E HN 0.598 nan 8.360 nan 0.000 0.503 341 D N 1.244 121.641 120.400 -0.005 0.000 2.479 341 D HA -0.070 4.569 4.640 -0.002 0.000 0.257 341 D C -1.635 174.662 176.300 -0.004 0.000 1.230 341 D CA -1.368 52.654 54.000 0.037 0.000 0.912 341 D CB 1.073 41.846 40.800 -0.046 0.000 1.130 341 D HN -0.030 nan 8.370 nan 0.000 0.515 342 P HA -0.078 nan 4.420 nan 0.000 0.230 342 P C 1.371 178.684 177.300 0.022 0.000 1.158 342 P CA 0.175 63.303 63.100 0.048 0.000 0.769 342 P CB 0.269 32.029 31.700 0.099 0.000 0.807 343 L N -0.745 120.504 121.223 0.042 0.000 2.049 343 L HA -0.026 4.313 4.340 -0.002 0.000 0.203 343 L C 2.134 178.920 176.870 -0.140 0.000 1.074 343 L CA 1.425 56.290 54.840 0.042 0.000 0.749 343 L CB -1.462 40.709 42.059 0.186 0.000 0.907 343 L HN -0.146 nan 8.230 nan 0.000 0.439 344 L N -0.422 120.527 121.223 -0.457 0.000 2.012 344 L HA -0.246 4.093 4.340 -0.002 0.000 0.210 344 L C 2.506 179.129 176.870 -0.411 0.000 1.073 344 L CA 1.817 56.202 54.840 -0.758 0.000 0.748 344 L CB -0.994 40.407 42.059 -1.095 0.000 0.891 344 L HN 0.391 nan 8.230 nan 0.000 0.431 345 Q N -0.240 119.383 119.800 -0.295 0.000 2.096 345 Q HA -0.192 4.147 4.340 -0.002 0.000 0.208 345 Q C 2.089 177.988 176.000 -0.169 0.000 0.993 345 Q CA 1.998 57.665 55.803 -0.227 0.000 0.862 345 Q CB -0.937 27.720 28.738 -0.136 0.000 0.915 345 Q HN 0.697 nan 8.270 nan 0.000 0.416 346 G N 0.126 108.862 108.800 -0.107 0.000 2.494 346 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.216 346 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.216 346 G C 1.507 176.411 174.900 0.008 0.000 1.140 346 G CA 0.092 45.171 45.100 -0.035 0.000 0.801 346 G HN 0.230 nan 8.290 nan 0.000 0.536 347 R N -0.115 120.352 120.500 -0.054 0.000 2.119 347 R HA -0.063 4.276 4.340 -0.002 0.000 0.246 347 R C 2.511 178.842 176.300 0.052 0.000 1.146 347 R CA 1.157 57.279 56.100 0.037 0.000 0.962 347 R CB -0.531 29.739 30.300 -0.049 0.000 0.863 347 R HN 0.337 nan 8.270 nan 0.000 0.442 348 L N -0.482 120.669 121.223 -0.121 0.000 2.043 348 L HA -0.249 4.090 4.340 -0.002 0.000 0.212 348 L C 2.366 179.215 176.870 -0.034 0.000 1.075 348 L CA 1.449 56.184 54.840 -0.175 0.000 0.752 348 L CB -0.522 41.320 42.059 -0.363 0.000 0.891 348 L HN 0.169 nan 8.230 nan 0.000 0.432 349 F N 0.138 120.030 119.950 -0.097 0.000 2.102 349 F HA -0.257 4.269 4.527 -0.002 0.000 0.298 349 F C 2.867 178.646 175.800 -0.035 0.000 1.105 349 F CA 1.772 59.736 58.000 -0.060 0.000 1.239 349 F CB -0.446 38.519 39.000 -0.059 0.000 0.991 349 F HN -0.014 nan 8.300 nan 0.000 0.474 350 S N -0.676 114.993 115.700 -0.051 0.000 2.359 350 S HA -0.263 4.206 4.470 -0.002 0.000 0.224 350 S C 2.027 176.448 174.600 -0.298 0.000 1.035 350 S CA 1.770 59.847 58.200 -0.205 0.000 1.018 350 S CB -0.802 62.322 63.200 -0.127 0.000 0.876 350 S HN 0.520 nan 8.310 nan 0.000 0.448 351 Y N 0.712 120.845 120.300 -0.279 0.000 2.439 351 Y HA 0.167 4.716 4.550 -0.002 0.000 0.292 351 Y C 1.956 177.658 175.900 -0.330 0.000 1.130 351 Y CA 0.436 58.369 58.100 -0.278 0.000 1.254 351 Y CB -0.356 37.955 38.460 -0.250 0.000 1.000 351 Y HN 0.293 nan 8.280 nan 0.000 0.554 352 L N 0.124 121.234 121.223 -0.188 0.000 2.095 352 L HA -0.088 4.251 4.340 -0.002 0.000 0.204 352 L C 1.955 178.653 176.870 -0.285 0.000 1.080 352 L CA 1.886 56.605 54.840 -0.200 0.000 0.759 352 L CB -0.688 41.297 42.059 -0.122 0.000 0.914 352 L HN 0.118 nan 8.230 nan 0.000 0.439 353 D N -1.520 118.632 120.400 -0.413 0.000 2.097 353 D HA -0.244 4.395 4.640 -0.002 0.000 0.195 353 D C 2.082 178.203 176.300 -0.299 0.000 0.989 353 D CA 1.773 55.538 54.000 -0.390 0.000 0.827 353 D CB -0.158 40.248 40.800 -0.657 0.000 0.966 353 D HN 0.317 nan 8.370 nan 0.000 0.456 354 T N -0.951 113.411 114.554 -0.321 0.000 2.881 354 T HA -0.125 4.224 4.350 -0.002 0.000 0.270 354 T C 1.601 176.130 174.700 -0.286 0.000 1.068 354 T CA 1.066 63.010 62.100 -0.259 0.000 1.131 354 T CB -0.203 68.506 68.868 -0.265 0.000 0.871 354 T HN 0.141 nan 8.240 nan 0.000 0.479 355 Q N 0.807 120.330 119.800 -0.461 0.000 2.291 355 Q HA 0.053 4.392 4.340 -0.002 0.000 0.206 355 Q C 2.337 178.089 176.000 -0.413 0.000 0.976 355 Q CA 0.748 56.166 55.803 -0.641 0.000 0.875 355 Q CB -0.623 27.229 28.738 -1.477 0.000 0.927 355 Q HN 0.522 nan 8.270 nan 0.000 0.450 356 L N 1.261 122.337 121.223 -0.244 0.000 2.079 356 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 356 L C 2.447 179.321 176.870 0.007 0.000 1.081 356 L CA 1.339 56.183 54.840 0.007 0.000 0.752 356 L CB -0.645 41.431 42.059 0.029 0.000 0.896 356 L HN 0.331 nan 8.230 nan 0.000 0.433 357 N N 0.765 119.436 118.700 -0.047 0.000 2.106 357 N HA -0.196 4.543 4.740 -0.002 0.000 0.188 357 N C 2.049 177.553 175.510 -0.010 0.000 1.029 357 N CA 1.477 54.513 53.050 -0.025 0.000 0.848 357 N CB 0.073 38.535 38.487 -0.040 0.000 1.007 357 N HN 0.296 nan 8.380 nan 0.000 0.423 358 R N -0.948 119.532 120.500 -0.033 0.000 2.066 358 R HA -0.118 4.221 4.340 -0.002 0.000 0.232 358 R C 2.228 178.566 176.300 0.064 0.000 1.131 358 R CA 1.580 57.676 56.100 -0.007 0.000 0.955 358 R CB -0.464 29.803 30.300 -0.055 0.000 0.851 358 R HN 0.414 nan 8.270 nan 0.000 0.432 359 H N -1.041 118.015 119.070 -0.024 0.000 2.525 359 H HA 0.117 4.672 4.556 -0.002 0.000 0.275 359 H C 0.960 176.323 175.328 0.059 0.000 0.984 359 H CA 1.165 57.238 56.048 0.041 0.000 1.264 359 H CB 0.417 30.252 29.762 0.122 0.000 1.432 359 H HN 0.392 nan 8.280 nan 0.000 0.549 360 G N -1.250 107.582 108.800 0.055 0.000 2.141 360 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.242 360 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.242 360 G C 0.528 175.444 174.900 0.027 0.000 0.982 360 G CA 0.303 45.405 45.100 0.003 0.000 0.662 360 G HN 0.976 nan 8.290 nan 0.000 0.527 361 G N -1.605 107.281 108.800 0.144 0.000 2.441 361 G HA2 0.733 4.692 3.960 -0.002 0.000 0.294 361 G HA3 0.733 4.692 3.960 -0.002 0.000 0.294 361 G C -2.211 172.912 174.900 0.371 0.000 1.393 361 G CA 0.341 45.552 45.100 0.185 0.000 0.796 361 G HN 0.225 nan 8.290 nan 0.000 0.494 362 P HA 0.097 nan 4.420 nan 0.000 0.251 362 P C 0.241 177.399 177.300 -0.236 0.000 1.223 362 P CA 0.328 63.497 63.100 0.114 0.000 0.796 362 P CB 0.411 32.135 31.700 0.040 0.000 1.068 363 N N 0.451 119.098 118.700 -0.088 0.000 2.378 363 N HA 0.080 4.819 4.740 -0.002 0.000 0.243 363 N C 0.955 176.192 175.510 -0.454 0.000 1.137 363 N CA -0.190 52.708 53.050 -0.254 0.000 0.862 363 N CB -0.539 37.910 38.487 -0.063 0.000 1.116 363 N HN 0.226 nan 8.380 nan 0.000 0.499 364 F N 0.578 120.246 119.950 -0.469 0.000 2.293 364 F HA 0.091 4.617 4.527 -0.002 0.000 0.300 364 F C 1.640 177.197 175.800 -0.405 0.000 1.086 364 F CA 0.577 58.073 58.000 -0.840 0.000 1.375 364 F CB -0.271 38.355 39.000 -0.622 0.000 1.045 364 F HN -0.097 nan 8.300 nan 0.000 0.516 365 E N 1.038 120.967 120.200 -0.452 0.000 2.472 365 E HA -0.135 4.214 4.350 -0.002 0.000 0.200 365 E C 1.677 178.184 176.600 -0.155 0.000 1.046 365 E CA 0.656 56.941 56.400 -0.192 0.000 0.871 365 E CB -0.461 29.126 29.700 -0.188 0.000 0.806 365 E HN 0.710 nan 8.360 nan 0.000 0.533 366 Q N 0.068 119.741 119.800 -0.213 0.000 2.425 366 Q HA 0.132 4.471 4.340 -0.002 0.000 0.204 366 Q C 0.530 176.393 176.000 -0.229 0.000 0.933 366 Q CA -0.066 55.610 55.803 -0.212 0.000 0.939 366 Q CB 0.293 28.848 28.738 -0.306 0.000 1.044 366 Q HN 0.220 nan 8.270 nan 0.000 0.513 367 L N 1.967 123.064 121.223 -0.209 0.000 2.453 367 L HA -0.001 4.338 4.340 -0.002 0.000 0.272 367 L C -1.496 175.219 176.870 -0.257 0.000 1.182 367 L CA -1.295 53.415 54.840 -0.217 0.000 0.858 367 L CB 0.157 42.112 42.059 -0.174 0.000 1.120 367 L HN -0.111 nan 8.230 nan 0.000 0.474 368 P HA -0.245 nan 4.420 nan 0.000 0.216 368 P C 1.571 178.787 177.300 -0.140 0.000 1.157 368 P CA 1.278 64.096 63.100 -0.471 0.000 0.880 368 P CB 0.183 31.368 31.700 -0.859 0.000 0.791 369 I N -1.107 119.348 120.570 -0.192 0.000 2.614 369 I HA -0.140 4.029 4.170 -0.002 0.000 0.258 369 I C 1.287 177.334 176.117 -0.116 0.000 1.189 369 I CA 1.532 62.716 61.300 -0.193 0.000 1.462 369 I CB -0.534 37.235 38.000 -0.384 0.000 1.092 369 I HN -0.113 nan 8.210 nan 0.000 0.442 370 N N 0.212 118.835 118.700 -0.127 0.000 2.325 370 N HA 0.093 4.832 4.740 -0.002 0.000 0.182 370 N C 0.394 175.864 175.510 -0.066 0.000 1.088 370 N CA 0.122 53.101 53.050 -0.119 0.000 0.879 370 N CB 0.076 38.493 38.487 -0.117 0.000 0.983 370 N HN 0.303 nan 8.380 nan 0.000 0.471 371 R N 1.670 122.164 120.500 -0.011 0.000 2.679 371 R HA 0.125 4.464 4.340 -0.002 0.000 0.268 371 R C -2.070 174.198 176.300 -0.053 0.000 1.044 371 R CA -0.864 55.242 56.100 0.010 0.000 1.105 371 R CB 0.046 30.451 30.300 0.175 0.000 0.989 371 R HN 0.109 nan 8.270 nan 0.000 0.447 372 P HA 0.154 nan 4.420 nan 0.000 0.278 372 P C -0.673 176.451 177.300 -0.294 0.000 1.266 372 P CA -0.396 62.639 63.100 -0.108 0.000 0.807 372 P CB 0.760 32.402 31.700 -0.097 0.000 1.094 373 R N 0.057 120.414 120.500 -0.238 0.000 3.311 373 R HA 0.674 5.013 4.340 -0.002 0.000 0.332 373 R C -0.120 176.101 176.300 -0.132 0.000 1.317 373 R CA -0.461 55.451 56.100 -0.314 0.000 1.192 373 R CB -0.522 29.618 30.300 -0.266 0.000 1.454 373 R HN 0.562 nan 8.270 nan 0.000 0.605 374 A N 0.774 123.529 122.820 -0.107 0.000 2.612 374 A HA 0.680 4.999 4.320 -0.002 0.000 0.293 374 A C -2.795 174.743 177.584 -0.077 0.000 1.075 374 A CA -1.334 50.670 52.037 -0.056 0.000 0.680 374 A CB 1.459 20.440 19.000 -0.031 0.000 1.279 374 A HN 0.012 nan 8.150 nan 0.000 0.411 375 P HA 0.514 nan 4.420 nan 0.000 0.269 375 P C -0.932 176.201 177.300 -0.280 0.000 1.215 375 P CA 0.159 63.154 63.100 -0.176 0.000 0.780 375 P CB 0.349 32.011 31.700 -0.064 0.000 0.898 376 I N 2.938 123.205 120.570 -0.504 0.000 2.406 376 I HA 0.316 4.485 4.170 -0.002 0.000 0.290 376 I C -0.109 175.588 176.117 -0.701 0.000 0.999 376 I CA -0.442 60.590 61.300 -0.447 0.000 1.124 376 I CB 1.075 38.858 38.000 -0.360 0.000 1.289 376 I HN 0.297 nan 8.210 nan 0.000 0.441 377 H N 5.379 124.390 119.070 -0.098 0.000 3.239 377 H HA 0.400 4.954 4.556 -0.002 0.000 0.320 377 H C -1.330 173.961 175.328 -0.061 0.000 1.074 377 H CA -0.839 55.157 56.048 -0.087 0.000 1.553 377 H CB 1.367 31.088 29.762 -0.067 0.000 1.752 377 H HN 0.766 nan 8.280 nan 0.000 0.513 378 N N 0.637 119.355 118.700 0.030 0.000 3.106 378 N HA 0.115 4.854 4.740 -0.002 0.000 0.253 378 N C -0.353 175.163 175.510 0.009 0.000 1.506 378 N CA -0.732 52.329 53.050 0.020 0.000 0.876 378 N CB 0.514 39.007 38.487 0.010 0.000 1.452 378 N HN -0.002 nan 8.380 nan 0.000 0.542 379 N N -0.698 118.010 118.700 0.013 0.000 2.268 379 N HA 0.148 4.886 4.740 -0.002 0.000 0.204 379 N C -0.821 174.706 175.510 0.028 0.000 1.124 379 N CA -0.118 52.943 53.050 0.019 0.000 0.838 379 N CB -0.510 37.990 38.487 0.023 0.000 0.994 379 N HN 0.439 nan 8.380 nan 0.000 0.489 380 N N 1.654 120.366 118.700 0.020 0.000 2.479 380 N HA 0.108 4.847 4.740 -0.002 0.000 0.257 380 N C 0.202 175.727 175.510 0.026 0.000 1.232 380 N CA 0.482 53.544 53.050 0.019 0.000 0.920 380 N CB 0.850 39.340 38.487 0.005 0.000 1.105 380 N HN -0.019 nan 8.380 nan 0.000 0.444 381 R N 1.261 121.778 120.500 0.029 0.000 2.740 381 R HA 0.323 4.662 4.340 -0.002 0.000 0.273 381 R C -0.134 176.185 176.300 0.031 0.000 0.998 381 R CA -0.513 55.609 56.100 0.036 0.000 0.900 381 R CB 1.257 31.582 30.300 0.041 0.000 1.223 381 R HN 0.590 nan 8.270 nan 0.000 0.466 382 D N 0.096 120.518 120.400 0.036 0.000 3.396 382 D HA -0.206 4.433 4.640 -0.002 0.000 0.196 382 D C 0.330 176.643 176.300 0.022 0.000 1.347 382 D CA 2.021 56.039 54.000 0.030 0.000 1.106 382 D CB -1.078 39.739 40.800 0.028 0.000 0.619 382 D HN 0.908 nan 8.370 nan 0.000 0.728 383 G N -0.775 108.037 108.800 0.020 0.000 2.716 383 G HA2 0.394 4.353 3.960 -0.002 0.000 0.686 383 G HA3 0.394 4.353 3.960 -0.002 0.000 0.686 383 G C 0.126 175.037 174.900 0.019 0.000 1.337 383 G CA 0.468 45.580 45.100 0.020 0.000 0.829 383 G HN 1.515 nan 8.290 nan 0.000 0.599 384 A N 0.442 123.275 122.820 0.022 0.000 2.555 384 A HA 0.652 4.971 4.320 -0.002 0.000 0.233 384 A C 2.088 179.681 177.584 0.015 0.000 1.060 384 A CA 2.075 54.119 52.037 0.011 0.000 0.759 384 A CB -0.092 18.910 19.000 0.003 0.000 0.995 384 A HN 2.962 nan 8.150 nan 0.000 0.506 385 G N 0.378 109.177 108.800 -0.002 0.000 2.221 385 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.265 385 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.265 385 G C 0.124 175.018 174.900 -0.009 0.000 1.041 385 G CA 0.643 45.742 45.100 -0.001 0.000 0.807 385 G HN 1.415 nan 8.290 nan 0.000 0.502 386 Q N -0.019 119.773 119.800 -0.013 0.000 2.307 386 Q HA 0.578 4.916 4.340 -0.002 0.000 0.261 386 Q C 1.487 177.455 176.000 -0.052 0.000 1.051 386 Q CA -0.268 55.523 55.803 -0.020 0.000 0.911 386 Q CB 0.387 29.134 28.738 0.015 0.000 1.227 386 Q HN 0.294 nan 8.270 nan 0.000 0.418 387 M N 3.160 122.668 119.600 -0.153 0.000 2.501 387 M HA 0.176 4.655 4.480 -0.002 0.000 0.261 387 M C -0.416 175.756 176.300 -0.213 0.000 1.129 387 M CA 0.345 55.506 55.300 -0.230 0.000 1.126 387 M CB -0.125 32.241 32.600 -0.390 0.000 1.359 387 M HN 0.430 nan 8.290 nan 0.000 0.471 388 F N 0.575 120.527 119.950 0.004 0.000 2.380 388 F HA 0.458 4.984 4.527 -0.002 0.000 0.321 388 F C 0.563 176.367 175.800 0.006 0.000 1.103 388 F CA -1.002 57.001 58.000 0.005 0.000 1.067 388 F CB 0.612 39.609 39.000 -0.005 0.000 1.265 388 F HN -0.192 nan 8.300 nan 0.000 0.517 389 I N 2.819 123.530 120.570 0.234 0.000 2.495 389 I HA 0.264 4.433 4.170 -0.002 0.000 0.277 389 I C -2.386 173.783 176.117 0.087 0.000 1.045 389 I CA -1.823 59.551 61.300 0.123 0.000 1.135 389 I CB 1.007 39.060 38.000 0.088 0.000 1.241 389 I HN 0.284 nan 8.210 nan 0.000 0.469 390 P HA 0.200 nan 4.420 nan 0.000 0.271 390 P C 0.723 178.040 177.300 0.027 0.000 1.226 390 P CA -0.198 62.922 63.100 0.033 0.000 0.765 390 P CB 0.943 32.662 31.700 0.032 0.000 0.835 391 L N 0.640 121.873 121.223 0.017 0.000 2.313 391 L HA 0.013 4.351 4.340 -0.002 0.000 0.214 391 L C 0.892 177.767 176.870 0.007 0.000 1.119 391 L CA 0.603 55.451 54.840 0.014 0.000 0.809 391 L CB -0.290 41.774 42.059 0.009 0.000 0.933 391 L HN 0.384 nan 8.230 nan 0.000 0.449 392 D N 1.281 121.682 120.400 0.002 0.000 2.336 392 D HA 0.074 4.713 4.640 -0.002 0.000 0.249 392 D C -1.424 174.880 176.300 0.006 0.000 1.213 392 D CA -2.036 51.959 54.000 -0.010 0.000 0.870 392 D CB 1.213 41.995 40.800 -0.030 0.000 1.076 392 D HN -0.034 nan 8.370 nan 0.000 0.483 393 P HA 0.052 nan 4.420 nan 0.000 0.249 393 P C -0.493 176.849 177.300 0.070 0.000 1.229 393 P CA 0.080 63.203 63.100 0.039 0.000 0.788 393 P CB 0.420 32.142 31.700 0.038 0.000 1.072 394 N N 0.992 119.717 118.700 0.042 0.000 2.976 394 N HA 0.281 5.020 4.740 -0.002 0.000 0.255 394 N C -0.306 175.144 175.510 -0.100 0.000 1.312 394 N CA -0.238 52.855 53.050 0.072 0.000 0.897 394 N CB 1.104 39.580 38.487 -0.019 0.000 1.184 394 N HN 0.001 nan 8.380 nan 0.000 0.497 395 A N 2.149 125.027 122.820 0.097 0.000 3.168 395 A HA 0.333 4.652 4.320 -0.002 0.000 0.260 395 A C -0.701 176.956 177.584 0.120 0.000 1.598 395 A CA -0.254 51.811 52.037 0.045 0.000 1.285 395 A CB -0.915 18.127 19.000 0.070 0.000 1.149 395 A HN 0.551 nan 8.150 nan 0.000 0.630 396 Y N -2.834 117.473 120.300 0.011 0.000 2.609 396 Y HA 0.765 5.314 4.550 -0.002 0.000 0.336 396 Y C -0.438 175.468 175.900 0.010 0.000 1.129 396 Y CA -1.399 56.708 58.100 0.012 0.000 1.040 396 Y CB 0.596 39.063 38.460 0.011 0.000 1.310 396 Y HN -0.018 nan 8.280 nan 0.000 0.460 397 S N 1.740 117.502 115.700 0.103 0.000 2.566 397 S HA 0.741 5.210 4.470 -0.002 0.000 0.298 397 S C -2.790 171.912 174.600 0.169 0.000 1.083 397 S CA -1.204 57.034 58.200 0.063 0.000 0.978 397 S CB 1.301 64.519 63.200 0.031 0.000 1.073 397 S HN 0.619 nan 8.310 nan 0.000 0.491 398 P HA 0.436 nan 4.420 nan 0.000 0.279 398 P C -1.050 176.322 177.300 0.120 0.000 1.239 398 P CA -0.605 62.542 63.100 0.079 0.000 0.789 398 P CB 0.252 31.990 31.700 0.064 0.000 0.933 399 N N -1.233 117.450 118.700 -0.027 0.000 2.292 399 N HA 0.459 5.198 4.740 -0.002 0.000 0.303 399 N C 0.426 175.922 175.510 -0.023 0.000 1.140 399 N CA -0.690 52.323 53.050 -0.061 0.000 0.788 399 N CB 1.252 39.416 38.487 -0.539 0.000 1.361 399 N HN 0.302 nan 8.380 nan 0.000 0.489 400 T N -3.206 111.365 114.554 0.029 0.000 3.015 400 T HA 0.146 4.495 4.350 -0.002 0.000 0.250 400 T C 0.892 175.590 174.700 -0.004 0.000 1.057 400 T CA 0.085 62.190 62.100 0.009 0.000 1.066 400 T CB -0.165 68.721 68.868 0.030 0.000 0.959 400 T HN 0.394 nan 8.240 nan 0.000 0.488 401 E N 2.017 122.224 120.200 0.011 0.000 2.204 401 E HA -0.032 4.317 4.350 -0.002 0.000 0.195 401 E C 1.057 177.633 176.600 -0.040 0.000 0.990 401 E CA 0.848 57.253 56.400 0.009 0.000 0.821 401 E CB -0.207 29.535 29.700 0.072 0.000 0.750 401 E HN 0.529 nan 8.360 nan 0.000 0.477 402 N N 0.121 118.763 118.700 -0.097 0.000 2.338 402 N HA 0.042 4.781 4.740 -0.002 0.000 0.251 402 N C -0.831 174.628 175.510 -0.084 0.000 1.199 402 N CA -0.039 52.952 53.050 -0.097 0.000 0.879 402 N CB 0.014 38.419 38.487 -0.138 0.000 1.159 402 N HN -0.096 nan 8.380 nan 0.000 0.514 403 K N -0.647 119.715 120.400 -0.062 0.000 3.069 403 K HA -0.205 4.114 4.320 -0.002 0.000 0.267 403 K C 0.596 177.163 176.600 -0.056 0.000 1.082 403 K CA 0.557 56.815 56.287 -0.049 0.000 0.782 403 K CB -1.890 30.584 32.500 -0.043 0.000 1.230 403 K HN 0.421 nan 8.250 nan 0.000 0.488 404 G N -0.416 108.342 108.800 -0.071 0.000 2.143 404 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.248 404 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.248 404 G C -0.092 174.764 174.900 -0.073 0.000 0.991 404 G CA 0.411 45.472 45.100 -0.065 0.000 0.689 404 G HN 0.545 nan 8.290 nan 0.000 0.522 405 S N 0.121 115.766 115.700 -0.092 0.000 2.537 405 S HA 0.779 5.248 4.470 -0.002 0.000 0.301 405 S C -2.552 171.984 174.600 -0.106 0.000 1.092 405 S CA -1.397 56.747 58.200 -0.093 0.000 1.048 405 S CB 1.809 64.948 63.200 -0.101 0.000 1.053 405 S HN 0.057 nan 8.310 nan 0.000 0.501 406 P HA 0.209 nan 4.420 nan 0.000 0.268 406 P C -1.050 176.222 177.300 -0.046 0.000 1.205 406 P CA -0.123 62.939 63.100 -0.064 0.000 0.771 406 P CB 0.287 31.975 31.700 -0.020 0.000 0.858 407 K N 2.200 122.575 120.400 -0.041 0.000 2.144 407 K HA 0.220 4.539 4.320 -0.002 0.000 0.270 407 K C 0.354 176.951 176.600 -0.004 0.000 1.005 407 K CA -0.723 55.548 56.287 -0.026 0.000 0.932 407 K CB 0.496 32.977 32.500 -0.031 0.000 1.021 407 K HN 0.392 nan 8.250 nan 0.000 0.462 408 Q N 0.977 120.779 119.800 0.003 0.000 2.311 408 Q HA 0.158 4.497 4.340 -0.002 0.000 0.272 408 Q C -0.450 175.563 176.000 0.021 0.000 1.012 408 Q CA 0.133 55.947 55.803 0.019 0.000 0.891 408 Q CB 1.179 29.930 28.738 0.020 0.000 1.201 408 Q HN 0.651 nan 8.270 nan 0.000 0.391 409 A N 3.598 126.442 122.820 0.040 0.000 2.342 409 A HA 0.670 4.989 4.320 -0.002 0.000 0.323 409 A C -0.147 177.475 177.584 0.063 0.000 1.125 409 A CA -0.564 51.500 52.037 0.045 0.000 0.785 409 A CB 0.752 19.786 19.000 0.058 0.000 1.221 409 A HN 0.887 nan 8.150 nan 0.000 0.463 410 N N 0.338 119.061 118.700 0.037 0.000 3.574 410 N HA 0.169 4.908 4.740 -0.002 0.000 0.340 410 N C 0.538 176.023 175.510 -0.042 0.000 1.650 410 N CA -0.028 53.040 53.050 0.031 0.000 0.762 410 N CB 0.127 38.616 38.487 0.004 0.000 2.206 410 N HN 0.476 nan 8.380 nan 0.000 0.621 411 E N -0.905 119.176 120.200 -0.197 0.000 2.106 411 E HA -0.154 4.195 4.350 -0.002 0.000 0.192 411 E C 0.882 177.283 176.600 -0.331 0.000 0.984 411 E CA 2.220 58.292 56.400 -0.546 0.000 0.806 411 E CB -0.136 28.961 29.700 -1.006 0.000 0.750 411 E HN 0.743 nan 8.360 nan 0.000 0.458 412 T N -1.896 112.531 114.554 -0.213 0.000 3.051 412 T HA 0.078 4.427 4.350 -0.002 0.000 0.255 412 T C 0.658 175.308 174.700 -0.085 0.000 1.085 412 T CA 0.281 62.295 62.100 -0.144 0.000 1.109 412 T CB 0.308 69.101 68.868 -0.125 0.000 0.921 412 T HN 0.068 nan 8.240 nan 0.000 0.488 413 V N -2.831 117.047 119.914 -0.061 0.000 2.709 413 V HA 0.838 4.957 4.120 -0.002 0.000 0.308 413 V C 0.812 176.899 176.094 -0.012 0.000 1.062 413 V CA -0.239 62.042 62.300 -0.033 0.000 0.901 413 V CB 0.862 32.669 31.823 -0.027 0.000 1.003 413 V HN 0.659 nan 8.190 nan 0.000 0.425 414 G N 2.227 111.025 108.800 -0.003 0.000 2.162 414 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.260 414 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.260 414 G C 0.460 175.379 174.900 0.032 0.000 0.976 414 G CA 0.364 45.472 45.100 0.013 0.000 0.655 414 G HN 1.637 nan 8.290 nan 0.000 0.533 415 K N -1.368 119.051 120.400 0.031 0.000 3.096 415 K HA -0.144 4.175 4.320 -0.002 0.000 0.266 415 K C 1.193 177.851 176.600 0.096 0.000 1.043 415 K CA 0.552 56.873 56.287 0.057 0.000 0.758 415 K CB -1.759 30.772 32.500 0.052 0.000 1.260 415 K HN 1.485 nan 8.250 nan 0.000 0.481 416 G N 0.672 109.534 108.800 0.104 0.000 2.544 416 G HA2 0.246 4.205 3.960 -0.002 0.000 0.242 416 G HA3 0.246 4.205 3.960 -0.002 0.000 0.242 416 G C -0.134 174.909 174.900 0.239 0.000 1.247 416 G CA -0.569 44.626 45.100 0.158 0.000 0.840 416 G HN 0.261 nan 8.290 nan 0.000 0.578 417 F N 1.771 121.790 119.950 0.115 0.000 2.628 417 F HA 0.442 4.968 4.527 -0.002 0.000 0.362 417 F C -0.011 175.919 175.800 0.216 0.000 1.148 417 F CA -0.192 57.855 58.000 0.079 0.000 1.352 417 F CB 0.243 39.255 39.000 0.020 0.000 1.081 417 F HN 0.449 nan 8.300 nan 0.000 0.605 418 F N 1.606 120.861 119.950 -1.158 0.000 2.628 418 F HA 0.466 4.992 4.527 -0.002 0.000 0.309 418 F C -0.827 174.418 175.800 -0.926 0.000 1.108 418 F CA -1.243 56.304 58.000 -0.756 0.000 0.971 418 F CB 0.166 38.971 39.000 -0.325 0.000 1.279 418 F HN 0.314 nan 8.300 nan 0.000 0.441 419 T N 2.660 117.030 114.554 -0.306 0.000 2.916 419 T HA 0.468 4.817 4.350 -0.002 0.000 0.303 419 T C 0.494 175.150 174.700 -0.073 0.000 1.025 419 T CA 0.408 62.435 62.100 -0.123 0.000 1.142 419 T CB 0.655 69.595 68.868 0.120 0.000 0.947 419 T HN 0.959 nan 8.240 nan 0.000 0.544 420 A N 6.176 128.922 122.820 -0.124 0.000 2.561 420 A HA 0.230 4.549 4.320 -0.002 0.000 0.251 420 A C -0.689 176.930 177.584 0.058 0.000 1.062 420 A CA -0.986 51.029 52.037 -0.037 0.000 0.761 420 A CB -0.043 18.923 19.000 -0.056 0.000 0.986 420 A HN 0.601 nan 8.150 nan 0.000 0.510 421 P HA -0.042 nan 4.420 nan 0.000 0.233 421 P C 0.524 177.850 177.300 0.044 0.000 1.167 421 P CA 0.819 63.967 63.100 0.080 0.000 0.770 421 P CB 0.420 32.160 31.700 0.068 0.000 0.837 422 E N -0.297 119.925 120.200 0.036 0.000 2.479 422 E HA 0.088 4.437 4.350 -0.002 0.000 0.193 422 E C 0.662 177.274 176.600 0.020 0.000 1.049 422 E CA -0.062 56.351 56.400 0.022 0.000 0.870 422 E CB -0.090 29.619 29.700 0.015 0.000 0.944 422 E HN 0.366 nan 8.360 nan 0.000 0.492 423 R N 0.994 121.510 120.500 0.026 0.000 2.590 423 R HA 0.177 4.516 4.340 -0.002 0.000 0.274 423 R C 0.654 176.970 176.300 0.025 0.000 1.061 423 R CA 0.514 56.630 56.100 0.026 0.000 1.081 423 R CB 0.500 30.822 30.300 0.037 0.000 0.984 423 R HN 0.019 nan 8.270 nan 0.000 0.448 424 T N -1.663 112.903 114.554 0.019 0.000 2.865 424 T HA 0.765 5.114 4.350 -0.002 0.000 0.294 424 T C -0.904 173.804 174.700 0.013 0.000 1.119 424 T CA -1.012 61.098 62.100 0.016 0.000 1.007 424 T CB 2.105 70.978 68.868 0.009 0.000 1.225 424 T HN 0.598 nan 8.240 nan 0.000 0.515 425 A N 0.595 123.421 122.820 0.010 0.000 2.374 425 A HA 0.905 5.224 4.320 -0.002 0.000 0.317 425 A C -0.279 177.305 177.584 0.000 0.000 1.094 425 A CA -0.811 51.229 52.037 0.005 0.000 0.765 425 A CB 1.731 20.735 19.000 0.006 0.000 1.268 425 A HN 1.190 nan 8.150 nan 0.000 0.438 426 S N -0.130 115.567 115.700 -0.005 0.000 2.535 426 S HA 0.785 5.254 4.470 -0.002 0.000 0.272 426 S C -0.380 174.213 174.600 -0.011 0.000 1.149 426 S CA 0.687 58.883 58.200 -0.007 0.000 0.888 426 S CB 1.254 64.450 63.200 -0.007 0.000 1.110 426 S HN 2.818 nan 8.310 nan 0.000 0.463 427 G N 3.210 112.004 108.800 -0.011 0.000 2.408 427 G HA2 0.051 4.010 3.960 -0.002 0.000 0.682 427 G HA3 0.051 4.010 3.960 -0.002 0.000 0.682 427 G C -1.700 173.191 174.900 -0.014 0.000 1.303 427 G CA -1.020 44.072 45.100 -0.014 0.000 0.966 427 G HN 0.764 nan 8.290 nan 0.000 0.560 428 K N -0.111 120.279 120.400 -0.016 0.000 2.270 428 K HA 0.433 4.751 4.320 -0.002 0.000 0.276 428 K C 0.703 177.292 176.600 -0.018 0.000 1.023 428 K CA -0.377 55.901 56.287 -0.015 0.000 0.955 428 K CB 0.792 33.283 32.500 -0.014 0.000 0.975 428 K HN 0.396 nan 8.250 nan 0.000 0.471 429 L N 4.060 125.273 121.223 -0.017 0.000 2.462 429 L HA 0.022 4.361 4.340 -0.002 0.000 0.272 429 L C 0.404 177.261 176.870 -0.022 0.000 1.166 429 L CA 0.329 55.157 54.840 -0.019 0.000 0.880 429 L CB -0.114 41.935 42.059 -0.017 0.000 1.142 429 L HN 0.709 nan 8.230 nan 0.000 0.473 430 Q N 3.198 122.982 119.800 -0.027 0.000 2.472 430 Q HA 0.501 4.840 4.340 -0.002 0.000 0.281 430 Q C -1.321 174.659 176.000 -0.032 0.000 0.997 430 Q CA -1.152 54.634 55.803 -0.028 0.000 0.828 430 Q CB 1.992 30.712 28.738 -0.030 0.000 1.443 430 Q HN 0.506 nan 8.270 nan 0.000 0.390 431 R N 1.499 121.983 120.500 -0.027 0.000 2.332 431 R HA 0.466 4.805 4.340 -0.002 0.000 0.306 431 R C -0.935 175.349 176.300 -0.027 0.000 1.117 431 R CA -0.036 56.048 56.100 -0.027 0.000 1.108 431 R CB 1.391 31.680 30.300 -0.019 0.000 1.126 431 R HN 0.838 nan 8.270 nan 0.000 0.548 432 T N -1.003 113.527 114.554 -0.041 0.000 2.868 432 T HA 0.380 4.729 4.350 -0.002 0.000 0.306 432 T C -1.039 173.618 174.700 -0.071 0.000 1.224 432 T CA -0.948 61.125 62.100 -0.045 0.000 1.012 432 T CB 1.531 70.369 68.868 -0.050 0.000 1.221 432 T HN 0.196 nan 8.240 nan 0.000 0.499 433 L N 2.235 123.421 121.223 -0.062 0.000 2.265 433 L HA 0.635 4.974 4.340 -0.002 0.000 0.288 433 L C 0.544 177.322 176.870 -0.153 0.000 1.058 433 L CA 0.012 54.798 54.840 -0.089 0.000 0.809 433 L CB 1.116 43.169 42.059 -0.009 0.000 1.179 433 L HN 0.950 nan 8.230 nan 0.000 0.429 434 S N 2.212 117.701 115.700 -0.352 0.000 2.546 434 S HA 0.007 4.476 4.470 -0.002 0.000 0.290 434 S C 1.542 176.056 174.600 -0.144 0.000 1.290 434 S CA 0.288 58.276 58.200 -0.352 0.000 1.069 434 S CB 0.419 63.199 63.200 -0.700 0.000 0.846 434 S HN 0.914 nan 8.310 nan 0.000 0.495 435 T N 1.309 115.833 114.554 -0.050 0.000 2.977 435 T HA -0.130 4.219 4.350 -0.002 0.000 0.271 435 T C 1.770 176.532 174.700 0.103 0.000 1.105 435 T CA 1.503 63.625 62.100 0.037 0.000 1.116 435 T CB -1.070 67.819 68.868 0.035 0.000 0.878 435 T HN 0.804 nan 8.240 nan 0.000 0.509 436 T N -1.552 113.068 114.554 0.110 0.000 3.113 436 T HA 0.106 4.455 4.350 -0.002 0.000 0.263 436 T C 0.985 175.940 174.700 0.425 0.000 1.143 436 T CA 0.079 62.316 62.100 0.229 0.000 1.090 436 T CB -0.620 68.381 68.868 0.221 0.000 0.922 436 T HN 0.303 nan 8.240 nan 0.000 0.521 437 F N 1.429 121.411 119.950 0.053 0.000 2.693 437 F HA 0.456 4.982 4.527 -0.002 0.000 0.303 437 F C 1.822 177.625 175.800 0.006 0.000 1.097 437 F CA -1.313 56.708 58.000 0.035 0.000 1.330 437 F CB -0.098 38.915 39.000 0.022 0.000 1.067 437 F HN 0.333 nan 8.300 nan 0.000 0.565 438 E N -0.556 119.767 120.200 0.206 0.000 2.442 438 E HA -0.069 4.280 4.350 -0.002 0.000 0.195 438 E C 0.621 177.266 176.600 0.075 0.000 1.030 438 E CA -0.012 56.469 56.400 0.135 0.000 0.869 438 E CB 0.015 29.819 29.700 0.173 0.000 0.857 438 E HN 0.021 nan 8.360 nan 0.000 0.505 439 N N 1.706 120.442 118.700 0.061 0.000 2.482 439 N HA 0.018 4.757 4.740 -0.002 0.000 0.242 439 N C -0.121 175.201 175.510 -0.314 0.000 1.100 439 N CA 0.068 53.102 53.050 -0.026 0.000 0.946 439 N CB 0.237 38.807 38.487 0.138 0.000 1.227 439 N HN 0.008 nan 8.380 nan 0.000 0.508 440 N N 2.187 120.388 118.700 -0.832 0.000 2.336 440 N HA 0.061 4.800 4.740 -0.002 0.000 0.189 440 N C 0.467 175.357 175.510 -1.034 0.000 1.113 440 N CA 0.300 52.687 53.050 -1.105 0.000 0.858 440 N CB 0.462 37.966 38.487 -1.638 0.000 0.970 440 N HN 0.668 nan 8.380 nan 0.000 0.471 441 W N -0.010 121.047 121.300 -0.406 0.000 2.942 441 W HA 0.276 4.935 4.660 -0.002 0.000 0.260 441 W C 1.617 178.073 176.519 -0.104 0.000 1.101 441 W CA -0.260 56.909 57.345 -0.293 0.000 1.436 441 W CB -0.386 28.817 29.460 -0.427 0.000 0.883 441 W HN -0.081 nan 8.180 nan 0.000 0.646 442 S N 1.005 116.798 115.700 0.156 0.000 2.368 442 S HA -0.187 4.282 4.470 -0.002 0.000 0.225 442 S C 1.723 176.462 174.600 0.232 0.000 1.030 442 S CA 1.346 59.745 58.200 0.331 0.000 0.999 442 S CB -0.320 63.056 63.200 0.294 0.000 0.844 442 S HN 0.292 nan 8.310 nan 0.000 0.459 443 Q N 0.246 120.015 119.800 -0.051 0.000 2.083 443 Q HA -0.014 4.325 4.340 -0.002 0.000 0.198 443 Q C -0.636 175.110 176.000 -0.425 0.000 0.969 443 Q CA 1.082 56.719 55.803 -0.275 0.000 0.838 443 Q CB -1.267 27.187 28.738 -0.473 0.000 0.900 443 Q HN 0.407 nan 8.270 nan 0.000 0.436 444 P HA -0.206 nan 4.420 nan 0.000 0.217 444 P C 1.067 178.458 177.300 0.152 0.000 1.151 444 P CA 1.383 64.441 63.100 -0.069 0.000 0.849 444 P CB -0.012 31.682 31.700 -0.010 0.000 0.787 445 R N -0.198 120.388 120.500 0.143 0.000 2.075 445 R HA -0.081 4.258 4.340 -0.002 0.000 0.232 445 R C 2.063 178.457 176.300 0.157 0.000 1.126 445 R CA 1.201 57.378 56.100 0.129 0.000 0.963 445 R CB -1.752 28.563 30.300 0.024 0.000 0.858 445 R HN 0.068 nan 8.270 nan 0.000 0.435 446 L N 0.039 121.422 121.223 0.267 0.000 2.013 446 L HA -0.124 4.215 4.340 -0.002 0.000 0.212 446 L C 2.074 179.072 176.870 0.213 0.000 1.073 446 L CA 1.986 57.013 54.840 0.310 0.000 0.753 446 L CB -0.880 41.345 42.059 0.278 0.000 0.890 446 L HN 0.294 nan 8.230 nan 0.000 0.432 447 F N -0.731 119.276 119.950 0.095 0.000 2.075 447 F HA -0.274 4.252 4.527 -0.002 0.000 0.297 447 F C 2.345 178.176 175.800 0.051 0.000 1.113 447 F CA 2.221 60.255 58.000 0.056 0.000 1.218 447 F CB -0.812 38.248 39.000 0.098 0.000 0.984 447 F HN 0.395 nan 8.300 nan 0.000 0.472 448 W N 1.806 123.100 121.300 -0.009 0.000 2.318 448 W HA -0.291 4.368 4.660 -0.002 0.000 0.313 448 W C 1.744 178.155 176.519 -0.180 0.000 1.221 448 W CA 1.908 59.190 57.345 -0.104 0.000 1.266 448 W CB -0.807 28.649 29.460 -0.007 0.000 1.150 448 W HN 0.080 nan 8.180 nan 0.000 0.496 449 N N 0.428 119.129 118.700 0.002 0.000 2.289 449 N HA -0.127 4.612 4.740 -0.002 0.000 0.184 449 N C 1.619 176.987 175.510 -0.237 0.000 1.016 449 N CA 1.764 54.738 53.050 -0.126 0.000 0.872 449 N CB -0.680 37.802 38.487 -0.008 0.000 0.973 449 N HN 0.018 nan 8.380 nan 0.000 0.433 450 S N -0.010 115.531 115.700 -0.265 0.000 2.593 450 S HA 0.215 4.684 4.470 -0.002 0.000 0.217 450 S C 0.726 175.115 174.600 -0.352 0.000 0.966 450 S CA -0.132 57.908 58.200 -0.265 0.000 0.914 450 S CB 0.350 63.418 63.200 -0.219 0.000 0.776 450 S HN 0.172 nan 8.310 nan 0.000 0.523 451 L N 2.189 123.128 121.223 -0.474 0.000 2.357 451 L HA 0.435 4.774 4.340 -0.002 0.000 0.273 451 L C 0.501 177.145 176.870 -0.378 0.000 1.080 451 L CA -0.977 53.585 54.840 -0.464 0.000 0.803 451 L CB 0.908 42.610 42.059 -0.594 0.000 1.174 451 L HN 0.022 nan 8.230 nan 0.000 0.443 452 V N -0.309 119.438 119.914 -0.278 0.000 3.139 452 V HA 0.049 4.168 4.120 -0.002 0.000 0.307 452 V C 1.175 177.065 176.094 -0.341 0.000 1.095 452 V CA -0.334 61.818 62.300 -0.247 0.000 1.160 452 V CB 0.357 32.083 31.823 -0.160 0.000 1.003 452 V HN 0.799 nan 8.190 nan 0.000 0.489 453 N N 2.524 121.046 118.700 -0.298 0.000 2.094 453 N HA -0.168 4.571 4.740 -0.002 0.000 0.191 453 N C 1.830 177.090 175.510 -0.416 0.000 1.023 453 N CA 2.142 54.998 53.050 -0.324 0.000 0.857 453 N CB -0.774 37.583 38.487 -0.217 0.000 1.013 453 N HN 0.972 nan 8.380 nan 0.000 0.426 454 A N 0.500 123.031 122.820 -0.481 0.000 1.933 454 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 454 A C 2.173 178.986 177.584 -1.284 0.000 1.175 454 A CA 1.522 53.068 52.037 -0.820 0.000 0.628 454 A CB -0.582 17.936 19.000 -0.803 0.000 0.814 454 A HN 0.400 nan 8.150 nan 0.000 0.444 455 Q N -0.386 118.907 119.800 -0.846 0.000 2.187 455 Q HA -0.104 4.235 4.340 -0.002 0.000 0.199 455 Q C 1.883 177.665 176.000 -0.364 0.000 0.957 455 Q CA 1.264 56.731 55.803 -0.559 0.000 0.857 455 Q CB -0.064 28.577 28.738 -0.162 0.000 0.929 455 Q HN 0.668 nan 8.270 nan 0.000 0.453 456 K N 0.323 120.422 120.400 -0.500 0.000 2.044 456 K HA -0.244 4.075 4.320 -0.002 0.000 0.210 456 K C 2.002 178.501 176.600 -0.168 0.000 1.049 456 K CA 1.632 57.584 56.287 -0.557 0.000 0.927 456 K CB -0.090 31.834 32.500 -0.960 0.000 0.713 456 K HN 0.114 nan 8.250 nan 0.000 0.443 457 E N 0.443 120.489 120.200 -0.257 0.000 2.085 457 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 457 E C 1.671 178.303 176.600 0.054 0.000 0.994 457 E CA 1.335 57.675 56.400 -0.101 0.000 0.801 457 E CB -0.105 29.484 29.700 -0.185 0.000 0.743 457 E HN 0.157 nan 8.360 nan 0.000 0.453 458 F N 0.350 120.259 119.950 -0.069 0.000 2.171 458 F HA -0.077 4.449 4.527 -0.002 0.000 0.300 458 F C 2.187 178.021 175.800 0.056 0.000 1.090 458 F CA 0.664 58.633 58.000 -0.051 0.000 1.293 458 F CB -0.827 38.097 39.000 -0.126 0.000 1.013 458 F HN 0.093 nan 8.300 nan 0.000 0.486 459 I N -0.737 120.009 120.570 0.294 0.000 2.142 459 I HA -0.281 3.888 4.170 -0.002 0.000 0.240 459 I C 2.371 178.652 176.117 0.273 0.000 1.078 459 I CA 1.056 62.540 61.300 0.308 0.000 1.343 459 I CB -0.701 37.548 38.000 0.415 0.000 1.046 459 I HN -0.101 nan 8.210 nan 0.000 0.405 460 V N 0.989 121.071 119.914 0.281 0.000 2.287 460 V HA -0.320 3.799 4.120 -0.002 0.000 0.248 460 V C 2.003 178.197 176.094 0.168 0.000 1.053 460 V CA 2.148 64.575 62.300 0.211 0.000 1.027 460 V CB -0.678 31.270 31.823 0.210 0.000 0.646 460 V HN 0.419 nan 8.190 nan 0.000 0.447 461 D N 0.016 120.527 120.400 0.186 0.000 2.183 461 D HA 0.073 4.712 4.640 -0.002 0.000 0.203 461 D C 1.202 177.593 176.300 0.152 0.000 0.969 461 D CA 1.024 55.130 54.000 0.177 0.000 0.842 461 D CB -0.315 40.613 40.800 0.212 0.000 0.957 461 D HN 0.501 nan 8.370 nan 0.000 0.484 465 F N 3.320 123.244 119.950 -0.043 0.000 2.069 465 F HA -0.105 4.421 4.527 -0.002 0.000 0.298 465 F C 2.083 177.848 175.800 -0.060 0.000 1.113 465 F CA 1.872 59.860 58.000 -0.019 0.000 1.214 465 F CB 0.131 39.111 39.000 -0.032 0.000 0.978 465 F HN -0.028 nan 8.300 nan 0.000 0.474 466 E N -0.199 119.988 120.200 -0.021 0.000 2.028 466 E HA -0.194 4.155 4.350 -0.002 0.000 0.191 466 E C 2.270 178.616 176.600 -0.423 0.000 0.988 466 E CA 2.148 58.489 56.400 -0.098 0.000 0.799 466 E CB -0.785 29.043 29.700 0.214 0.000 0.755 466 E HN 0.568 nan 8.360 nan 0.000 0.447 467 T N -0.495 113.689 114.554 -0.616 0.000 2.995 467 T HA -0.085 4.264 4.350 -0.002 0.000 0.269 467 T C 2.071 176.554 174.700 -0.361 0.000 1.091 467 T CA 1.283 62.983 62.100 -0.667 0.000 1.128 467 T CB -0.248 68.203 68.868 -0.694 0.000 0.891 467 T HN 0.104 nan 8.240 nan 0.000 0.492 468 S N 1.944 117.471 115.700 -0.288 0.000 2.447 468 S HA -0.043 4.426 4.470 -0.002 0.000 0.233 468 S C 1.748 176.227 174.600 -0.202 0.000 1.006 468 S CA 0.487 58.563 58.200 -0.207 0.000 0.957 468 S CB -0.631 62.466 63.200 -0.172 0.000 0.773 468 S HN 0.521 nan 8.310 nan 0.000 0.507 469 N N 1.068 119.619 118.700 -0.248 0.000 2.336 469 N HA 0.165 4.903 4.740 -0.002 0.000 0.189 469 N C -0.616 174.837 175.510 -0.094 0.000 1.113 469 N CA 0.137 53.088 53.050 -0.164 0.000 0.858 469 N CB 0.670 39.050 38.487 -0.177 0.000 0.970 469 N HN 0.273 nan 8.380 nan 0.000 0.471 470 V N 1.354 121.186 119.914 -0.135 0.000 2.408 470 V HA 0.073 4.192 4.120 -0.002 0.000 0.267 470 V C 1.230 177.290 176.094 -0.057 0.000 1.047 470 V CA 0.034 62.285 62.300 -0.083 0.000 0.937 470 V CB 1.446 33.186 31.823 -0.138 0.000 0.999 470 V HN 0.135 nan 8.190 nan 0.000 0.472 471 S N 2.821 118.509 115.700 -0.020 0.000 2.387 471 S HA -0.087 4.382 4.470 -0.002 0.000 0.226 471 S C 1.287 175.880 174.600 -0.013 0.000 1.026 471 S CA 0.851 59.042 58.200 -0.015 0.000 0.972 471 S CB 0.017 63.217 63.200 -0.001 0.000 0.814 471 S HN 0.739 nan 8.310 nan 0.000 0.477 472 S N 2.137 117.835 115.700 -0.003 0.000 2.481 472 S HA 0.104 4.573 4.470 -0.002 0.000 0.282 472 S C 1.410 176.007 174.600 -0.005 0.000 1.243 472 S CA -0.004 58.197 58.200 0.002 0.000 1.078 472 S CB 0.546 63.754 63.200 0.014 0.000 0.916 472 S HN 0.457 nan 8.310 nan 0.000 0.495 473 S N 4.815 120.512 115.700 -0.006 0.000 2.399 473 S HA -0.097 4.372 4.470 -0.002 0.000 0.231 473 S C 1.726 176.327 174.600 0.002 0.000 1.022 473 S CA 1.234 59.429 58.200 -0.007 0.000 0.983 473 S CB -0.597 62.599 63.200 -0.006 0.000 0.803 473 S HN 0.584 nan 8.310 nan 0.000 0.480 474 V N 1.660 121.579 119.914 0.009 0.000 2.343 474 V HA -0.138 3.980 4.120 -0.002 0.000 0.247 474 V C 2.687 178.797 176.094 0.026 0.000 1.051 474 V CA 1.739 64.049 62.300 0.017 0.000 1.036 474 V CB -0.740 31.094 31.823 0.018 0.000 0.654 474 V HN 0.482 nan 8.190 nan 0.000 0.451 475 V N -0.293 119.639 119.914 0.030 0.000 2.307 475 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 475 V C 2.565 178.689 176.094 0.049 0.000 1.045 475 V CA 2.045 64.376 62.300 0.053 0.000 1.024 475 V CB -0.787 31.074 31.823 0.063 0.000 0.651 475 V HN 0.455 nan 8.190 nan 0.000 0.449 476 R N -0.077 120.427 120.500 0.006 0.000 2.083 476 R HA -0.191 4.148 4.340 -0.002 0.000 0.237 476 R C 2.154 178.455 176.300 0.001 0.000 1.137 476 R CA 1.965 58.049 56.100 -0.026 0.000 0.951 476 R CB -0.510 29.757 30.300 -0.054 0.000 0.851 476 R HN 0.599 nan 8.270 nan 0.000 0.434 477 D N 0.340 120.746 120.400 0.010 0.000 2.117 477 D HA -0.128 4.511 4.640 -0.002 0.000 0.198 477 D C 1.302 177.625 176.300 0.038 0.000 0.982 477 D CA 1.162 55.172 54.000 0.018 0.000 0.828 477 D CB -0.101 40.707 40.800 0.013 0.000 0.967 477 D HN 0.183 nan 8.370 nan 0.000 0.464 478 D N 0.412 120.843 120.400 0.052 0.000 2.178 478 D HA -0.100 4.539 4.640 -0.002 0.000 0.201 478 D C 2.296 178.663 176.300 0.111 0.000 0.980 478 D CA 0.291 54.336 54.000 0.074 0.000 0.842 478 D CB -0.179 40.666 40.800 0.074 0.000 0.948 478 D HN 0.079 nan 8.370 nan 0.000 0.472 479 V N 1.413 121.405 119.914 0.130 0.000 2.295 479 V HA -0.207 3.912 4.120 -0.002 0.000 0.246 479 V C 2.417 178.592 176.094 0.136 0.000 1.049 479 V CA 0.955 63.370 62.300 0.192 0.000 1.024 479 V CB -0.220 31.735 31.823 0.220 0.000 0.648 479 V HN 0.172 nan 8.190 nan 0.000 0.447 480 I N -0.227 120.387 120.570 0.072 0.000 2.286 480 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 480 I C 2.344 178.493 176.117 0.054 0.000 1.115 480 I CA 1.799 63.127 61.300 0.046 0.000 1.392 480 I CB -0.981 37.028 38.000 0.015 0.000 1.065 480 I HN 0.272 nan 8.210 nan 0.000 0.418 481 I N 0.258 120.863 120.570 0.057 0.000 2.226 481 I HA -0.295 3.874 4.170 -0.002 0.000 0.245 481 I C 2.666 178.824 176.117 0.069 0.000 1.100 481 I CA 1.121 62.449 61.300 0.046 0.000 1.374 481 I CB -0.319 37.706 38.000 0.041 0.000 1.057 481 I HN 0.282 nan 8.210 nan 0.000 0.413 482 Q N 0.422 120.301 119.800 0.131 0.000 2.079 482 Q HA -0.099 4.240 4.340 -0.002 0.000 0.200 482 Q C 2.433 178.568 176.000 0.225 0.000 0.974 482 Q CA 1.364 57.305 55.803 0.230 0.000 0.840 482 Q CB -0.358 28.547 28.738 0.278 0.000 0.898 482 Q HN 0.540 nan 8.270 nan 0.000 0.430 483 L N 0.978 122.294 121.223 0.156 0.000 2.079 483 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 483 L C 2.151 179.053 176.870 0.053 0.000 1.081 483 L CA 1.215 56.112 54.840 0.095 0.000 0.752 483 L CB -0.547 41.541 42.059 0.049 0.000 0.896 483 L HN 0.257 nan 8.230 nan 0.000 0.433 484 N N 0.570 119.304 118.700 0.056 0.000 2.309 484 N HA -0.157 4.582 4.740 -0.002 0.000 0.182 484 N C 1.872 177.472 175.510 0.150 0.000 1.018 484 N CA 1.062 54.154 53.050 0.069 0.000 0.876 484 N CB 0.064 38.580 38.487 0.049 0.000 0.972 484 N HN 0.156 nan 8.380 nan 0.000 0.434 485 R N -0.521 120.013 120.500 0.056 0.000 2.189 485 R HA 0.121 4.460 4.340 -0.002 0.000 0.218 485 R C 1.785 178.226 176.300 0.236 0.000 1.074 485 R CA 0.736 56.807 56.100 -0.048 0.000 0.991 485 R CB -0.031 29.863 30.300 -0.677 0.000 0.883 485 R HN 0.349 nan 8.270 nan 0.000 0.457 486 I N -0.981 119.751 120.570 0.270 0.000 2.206 486 I HA -0.092 4.077 4.170 -0.002 0.000 0.239 486 I C 0.854 177.022 176.117 0.085 0.000 1.078 486 I CA 0.684 62.118 61.300 0.223 0.000 1.367 486 I CB 0.122 38.167 38.000 0.076 0.000 1.078 486 I HN -0.038 nan 8.210 nan 0.000 0.413 487 S N -0.555 115.071 115.700 -0.123 0.000 2.592 487 S HA 0.141 4.610 4.470 -0.002 0.000 0.275 487 S C -0.130 174.270 174.600 -0.333 0.000 1.169 487 S CA -0.767 57.161 58.200 -0.453 0.000 0.958 487 S CB 1.419 64.210 63.200 -0.682 0.000 1.095 487 S HN 0.287 nan 8.310 nan 0.000 0.471 488 D N 3.459 123.635 120.400 -0.374 0.000 2.218 488 D HA -0.118 4.521 4.640 -0.002 0.000 0.204 488 D C 1.635 177.850 176.300 -0.141 0.000 0.976 488 D CA 1.682 55.601 54.000 -0.134 0.000 0.853 488 D CB 0.047 40.820 40.800 -0.045 0.000 0.939 488 D HN 0.628 nan 8.370 nan 0.000 0.481 489 N N -0.363 118.225 118.700 -0.187 0.000 2.080 489 N HA -0.162 4.577 4.740 -0.002 0.000 0.189 489 N C 2.003 177.441 175.510 -0.119 0.000 1.036 489 N CA 0.833 53.830 53.050 -0.088 0.000 0.846 489 N CB -0.153 38.342 38.487 0.012 0.000 1.015 489 N HN 0.189 nan 8.380 nan 0.000 0.423 490 L N 1.761 122.768 121.223 -0.360 0.000 1.990 490 L HA -0.145 4.194 4.340 -0.002 0.000 0.213 490 L C 2.404 179.149 176.870 -0.208 0.000 1.072 490 L CA 2.236 56.791 54.840 -0.475 0.000 0.755 490 L CB -1.147 40.310 42.059 -1.004 0.000 0.889 490 L HN 0.233 nan 8.230 nan 0.000 0.432 491 A N -1.735 120.982 122.820 -0.172 0.000 1.877 491 A HA -0.212 4.107 4.320 -0.002 0.000 0.216 491 A C 2.272 179.830 177.584 -0.043 0.000 1.186 491 A CA 2.410 54.403 52.037 -0.075 0.000 0.620 491 A CB -1.293 17.683 19.000 -0.040 0.000 0.822 491 A HN 0.556 nan 8.150 nan 0.000 0.443 492 T N -0.320 114.209 114.554 -0.041 0.000 2.708 492 T HA -0.141 4.208 4.350 -0.002 0.000 0.266 492 T C 2.066 176.763 174.700 -0.005 0.000 1.037 492 T CA 1.654 63.744 62.100 -0.017 0.000 1.146 492 T CB -0.244 68.616 68.868 -0.012 0.000 0.865 492 T HN 0.533 nan 8.240 nan 0.000 0.435 493 R N 0.337 120.838 120.500 0.001 0.000 2.081 493 R HA -0.040 4.299 4.340 -0.002 0.000 0.235 493 R C 2.493 178.808 176.300 0.025 0.000 1.131 493 R CA 1.015 57.133 56.100 0.029 0.000 0.960 493 R CB -0.652 29.688 30.300 0.066 0.000 0.856 493 R HN 0.241 nan 8.270 nan 0.000 0.436 494 V N 0.806 120.725 119.914 0.008 0.000 2.379 494 V HA -0.180 3.939 4.120 -0.002 0.000 0.245 494 V C 2.410 178.493 176.094 -0.017 0.000 1.044 494 V CA 1.833 64.132 62.300 -0.001 0.000 1.036 494 V CB -0.690 31.125 31.823 -0.014 0.000 0.664 494 V HN 0.401 nan 8.190 nan 0.000 0.453 495 A N 1.050 123.859 122.820 -0.018 0.000 1.940 495 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 495 A C 2.526 180.102 177.584 -0.014 0.000 1.176 495 A CA 2.365 54.390 52.037 -0.020 0.000 0.631 495 A CB -0.806 18.187 19.000 -0.013 0.000 0.814 495 A HN 0.705 nan 8.150 nan 0.000 0.446 496 S N -0.123 115.576 115.700 -0.003 0.000 2.419 496 S HA 0.088 4.557 4.470 -0.002 0.000 0.233 496 S C 1.885 176.487 174.600 0.003 0.000 1.016 496 S CA 1.181 59.383 58.200 0.003 0.000 0.974 496 S CB -0.489 62.718 63.200 0.012 0.000 0.786 496 S HN 0.898 nan 8.310 nan 0.000 0.492 497 A N 1.788 124.608 122.820 0.001 0.000 2.067 497 A HA 0.374 4.692 4.320 -0.002 0.000 0.217 497 A C 1.969 179.540 177.584 -0.021 0.000 1.156 497 A CA 0.845 52.882 52.037 -0.001 0.000 0.683 497 A CB -0.608 18.397 19.000 0.008 0.000 0.808 497 A HN 0.913 nan 8.150 nan 0.000 0.455 498 I N -5.756 114.792 120.570 -0.036 0.000 3.936 498 I HA 0.545 4.714 4.170 -0.002 0.000 0.330 498 I C 0.887 176.978 176.117 -0.043 0.000 1.509 498 I CA 0.242 61.509 61.300 -0.055 0.000 1.126 498 I CB 0.142 38.086 38.000 -0.093 0.000 1.115 498 I HN 0.225 nan 8.210 nan 0.000 0.424 499 G N 1.753 110.537 108.800 -0.027 0.000 2.221 499 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.265 499 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.265 499 G C -0.115 174.774 174.900 -0.018 0.000 1.041 499 G CA 0.278 45.367 45.100 -0.019 0.000 0.807 499 G HN 0.361 nan 8.290 nan 0.000 0.502 500 V N 0.056 119.958 119.914 -0.019 0.000 2.513 500 V HA 0.443 4.562 4.120 -0.002 0.000 0.299 500 V C 0.769 176.858 176.094 -0.008 0.000 1.035 500 V CA -0.890 61.401 62.300 -0.014 0.000 0.889 500 V CB 1.916 33.728 31.823 -0.018 0.000 0.988 500 V HN 0.490 nan 8.190 nan 0.000 0.440 501 E N 3.057 123.254 120.200 -0.005 0.000 2.452 501 E HA 0.252 4.601 4.350 -0.002 0.000 0.261 501 E C 0.361 176.961 176.600 -0.001 0.000 0.987 501 E CA -0.189 56.209 56.400 -0.002 0.000 0.926 501 E CB 0.794 30.493 29.700 -0.001 0.000 0.934 501 E HN 0.898 nan 8.360 nan 0.000 0.452 502 A N 6.282 129.102 122.820 0.000 0.000 2.548 502 A HA 0.169 4.488 4.320 -0.002 0.000 0.247 502 A C -2.030 175.556 177.584 0.003 0.000 1.067 502 A CA -0.985 51.053 52.037 0.001 0.000 0.757 502 A CB -0.158 18.843 19.000 0.002 0.000 0.996 502 A HN 0.510 nan 8.150 nan 0.000 0.504 503 P HA 0.283 nan 4.420 nan 0.000 0.281 503 P C -0.729 176.580 177.300 0.014 0.000 1.249 503 P CA -0.476 62.630 63.100 0.009 0.000 0.810 503 P CB 0.808 32.515 31.700 0.012 0.000 1.008 504 K N 2.329 122.736 120.400 0.012 0.000 2.270 504 K HA 0.295 4.614 4.320 -0.002 0.000 0.276 504 K C -1.998 174.622 176.600 0.034 0.000 1.023 504 K CA -1.576 54.721 56.287 0.017 0.000 0.955 504 K CB -0.200 32.302 32.500 0.004 0.000 0.975 504 K HN 0.409 nan 8.250 nan 0.000 0.471 505 P HA -0.034 nan 4.420 nan 0.000 0.269 505 P C -0.903 176.408 177.300 0.018 0.000 1.209 505 P CA -0.068 63.114 63.100 0.136 0.000 0.776 505 P CB 0.429 32.253 31.700 0.207 0.000 0.876 506 N N 1.280 119.931 118.700 -0.082 0.000 2.524 506 N HA 0.097 4.836 4.740 -0.002 0.000 0.261 506 N C 0.517 175.520 175.510 -0.845 0.000 0.998 506 N CA -0.461 52.397 53.050 -0.321 0.000 0.915 506 N CB 0.716 39.048 38.487 -0.260 0.000 1.187 506 N HN 0.202 nan 8.380 nan 0.000 0.507 507 S N 1.357 116.662 115.700 -0.659 0.000 2.603 507 S HA 0.004 4.473 4.470 -0.002 0.000 0.220 507 S C 1.339 175.552 174.600 -0.645 0.000 0.967 507 S CA 0.079 57.807 58.200 -0.787 0.000 0.920 507 S CB -0.141 62.905 63.200 -0.256 0.000 0.773 507 S HN 0.384 nan 8.310 nan 0.000 0.529 508 S N 1.624 116.931 115.700 -0.655 0.000 2.372 508 S HA -0.075 4.394 4.470 -0.002 0.000 0.227 508 S C 0.697 174.784 174.600 -0.855 0.000 1.044 508 S CA 1.670 59.408 58.200 -0.771 0.000 1.050 508 S CB -0.444 62.155 63.200 -1.001 0.000 0.901 508 S HN 0.748 nan 8.310 nan 0.000 0.447 509 F N -1.133 118.709 119.950 -0.181 0.000 2.688 509 F HA 0.377 4.903 4.527 -0.002 0.000 0.310 509 F C -0.186 175.777 175.800 0.272 0.000 1.098 509 F CA -1.022 57.032 58.000 0.090 0.000 1.228 509 F CB 0.058 39.168 39.000 0.182 0.000 1.042 509 F HN 0.024 nan 8.300 nan 0.000 0.557 510 Y N 3.130 123.520 120.300 0.151 0.000 2.425 510 Y HA 0.293 4.842 4.550 -0.002 0.000 0.331 510 Y C 0.900 176.891 175.900 0.151 0.000 1.157 510 Y CA -0.965 57.188 58.100 0.088 0.000 1.372 510 Y CB -0.444 38.032 38.460 0.026 0.000 1.253 510 Y HN 0.277 nan 8.280 nan 0.000 0.536 511 H N -0.260 118.963 119.070 0.256 0.000 2.967 511 H HA 0.330 4.885 4.556 -0.002 0.000 0.318 511 H C -1.441 173.965 175.328 0.130 0.000 1.375 511 H CA -0.832 55.316 56.048 0.167 0.000 1.132 511 H CB 1.505 31.362 29.762 0.159 0.000 1.848 511 H HN 0.440 nan 8.280 nan 0.000 0.524 512 D N 0.455 120.995 120.400 0.232 0.000 2.501 512 D HA 0.117 4.756 4.640 -0.002 0.000 0.224 512 D C -0.144 176.277 176.300 0.201 0.000 1.202 512 D CA -0.267 53.811 54.000 0.130 0.000 0.829 512 D CB 0.334 41.189 40.800 0.092 0.000 1.023 512 D HN 0.289 nan 8.370 nan 0.000 0.499 513 N N 1.293 120.253 118.700 0.432 0.000 2.444 513 N HA 0.208 4.947 4.740 -0.002 0.000 0.255 513 N C 0.588 176.217 175.510 0.199 0.000 1.255 513 N CA 0.568 53.779 53.050 0.268 0.000 0.933 513 N CB 1.177 39.787 38.487 0.206 0.000 1.143 513 N HN 0.106 nan 8.380 nan 0.000 0.453 514 T N -3.339 111.278 114.554 0.105 0.000 2.865 514 T HA 0.586 4.935 4.350 -0.002 0.000 0.294 514 T C -0.405 174.318 174.700 0.038 0.000 1.119 514 T CA -0.825 61.305 62.100 0.049 0.000 1.007 514 T CB 1.984 70.843 68.868 -0.015 0.000 1.225 514 T HN 0.308 nan 8.240 nan 0.000 0.515 515 T N -0.081 114.481 114.554 0.014 0.000 2.912 515 T HA 0.689 5.038 4.350 -0.002 0.000 0.299 515 T C -0.517 174.161 174.700 -0.038 0.000 1.052 515 T CA -0.299 61.811 62.100 0.017 0.000 0.996 515 T CB 1.075 69.990 68.868 0.079 0.000 1.070 515 T HN 1.171 nan 8.240 nan 0.000 0.465 516 A N 3.414 126.196 122.820 -0.062 0.000 2.388 516 A HA 0.526 4.845 4.320 -0.002 0.000 0.257 516 A C 0.451 177.981 177.584 -0.090 0.000 1.095 516 A CA 0.094 52.005 52.037 -0.210 0.000 0.791 516 A CB -0.304 18.524 19.000 -0.286 0.000 1.029 516 A HN 1.145 nan 8.150 nan 0.000 0.489 517 H N -0.161 118.912 119.070 0.004 0.000 2.713 517 H HA -0.161 4.394 4.556 -0.002 0.000 0.311 517 H C 0.560 175.919 175.328 0.052 0.000 1.175 517 H CA 1.065 57.123 56.048 0.018 0.000 1.143 517 H CB -1.403 28.386 29.762 0.044 0.000 1.434 517 H HN 0.629 nan 8.280 nan 0.000 0.418 518 I N -0.492 120.124 120.570 0.077 0.000 3.228 518 I HA 0.171 4.340 4.170 -0.002 0.000 0.279 518 I C 1.815 177.957 176.117 0.042 0.000 1.221 518 I CA 1.036 62.380 61.300 0.074 0.000 1.458 518 I CB 0.375 38.375 38.000 0.001 0.000 1.105 518 I HN 0.400 nan 8.210 nan 0.000 0.445 519 G N -0.880 107.876 108.800 -0.072 0.000 2.580 519 G HA2 0.400 4.359 3.960 -0.002 0.000 0.278 519 G HA3 0.400 4.359 3.960 -0.002 0.000 0.278 519 G C 0.783 175.618 174.900 -0.108 0.000 1.212 519 G CA 0.130 45.168 45.100 -0.103 0.000 0.939 519 G HN 0.300 nan 8.290 nan 0.000 0.513 520 A N -0.834 121.725 122.820 -0.435 0.000 2.072 520 A HA 0.436 4.755 4.320 -0.002 0.000 0.216 520 A C 0.358 177.601 177.584 -0.569 0.000 1.156 520 A CA 0.392 52.085 52.037 -0.573 0.000 0.701 520 A CB -0.099 18.404 19.000 -0.828 0.000 0.816 520 A HN 0.354 nan 8.150 nan 0.000 0.458 521 F N -1.750 118.143 119.950 -0.095 0.000 2.458 521 F HA 0.569 5.095 4.527 -0.002 0.000 0.330 521 F C 1.275 177.045 175.800 -0.050 0.000 1.082 521 F CA 0.380 58.354 58.000 -0.042 0.000 0.995 521 F CB 2.111 41.109 39.000 -0.004 0.000 1.170 521 F HN 0.133 nan 8.300 nan 0.000 0.478 522 G N 1.223 110.106 108.800 0.139 0.000 2.367 522 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.181 522 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.181 522 G C -0.322 174.596 174.900 0.031 0.000 1.000 522 G CA -0.630 44.517 45.100 0.077 0.000 0.693 522 G HN 0.533 nan 8.290 nan 0.000 0.480 523 E N 0.673 120.864 120.200 -0.015 0.000 2.256 523 E HA 0.489 4.838 4.350 -0.002 0.000 0.267 523 E C -0.408 176.161 176.600 -0.051 0.000 0.892 523 E CA -0.885 55.472 56.400 -0.071 0.000 0.775 523 E CB 1.834 31.437 29.700 -0.161 0.000 1.207 523 E HN 0.131 nan 8.360 nan 0.000 0.420 524 K N 1.736 122.109 120.400 -0.045 0.000 2.355 524 K HA 0.180 4.499 4.320 -0.002 0.000 0.270 524 K C 0.119 176.695 176.600 -0.040 0.000 1.003 524 K CA -0.190 56.081 56.287 -0.026 0.000 0.957 524 K CB 0.521 33.013 32.500 -0.013 0.000 0.939 524 K HN 0.311 nan 8.250 nan 0.000 0.482 525 L N 1.845 123.052 121.223 -0.027 0.000 2.483 525 L HA -0.085 4.254 4.340 -0.002 0.000 0.276 525 L C 1.468 178.321 176.870 -0.028 0.000 1.213 525 L CA -0.011 54.807 54.840 -0.036 0.000 0.843 525 L CB 0.478 42.525 42.059 -0.020 0.000 1.107 525 L HN 0.852 nan 8.230 nan 0.000 0.487 526 A N 3.222 126.019 122.820 -0.039 0.000 1.935 526 A HA 0.073 4.392 4.320 -0.002 0.000 0.214 526 A C 0.739 178.303 177.584 -0.035 0.000 1.178 526 A CA 0.906 52.919 52.037 -0.040 0.000 0.640 526 A CB 0.129 19.096 19.000 -0.054 0.000 0.825 526 A HN 0.730 nan 8.150 nan 0.000 0.447 527 K N -0.700 119.679 120.400 -0.034 0.000 2.464 527 K HA 0.577 4.896 4.320 -0.002 0.000 0.253 527 K C -0.579 176.027 176.600 0.010 0.000 0.933 527 K CA -0.496 55.774 56.287 -0.028 0.000 0.801 527 K CB 1.923 34.385 32.500 -0.063 0.000 1.271 527 K HN 0.081 nan 8.250 nan 0.000 0.430 528 L N 0.763 121.996 121.223 0.016 0.000 2.607 528 L HA 0.111 4.450 4.340 -0.002 0.000 0.228 528 L C -0.128 176.770 176.870 0.047 0.000 1.123 528 L CA -0.098 54.770 54.840 0.046 0.000 0.890 528 L CB -0.049 42.032 42.059 0.037 0.000 1.103 528 L HN 0.559 nan 8.230 nan 0.000 0.468 529 D N 1.635 122.044 120.400 0.015 0.000 2.583 529 D HA 0.115 4.754 4.640 -0.002 0.000 0.232 529 D C 1.357 177.676 176.300 0.032 0.000 1.128 529 D CA 1.556 55.555 54.000 -0.003 0.000 0.859 529 D CB 1.019 41.789 40.800 -0.050 0.000 1.169 529 D HN 0.337 nan 8.370 nan 0.000 0.481 530 G N 1.787 110.605 108.800 0.031 0.000 2.179 530 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.260 530 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.260 530 G C 0.531 175.488 174.900 0.094 0.000 0.977 530 G CA 0.121 45.251 45.100 0.050 0.000 0.641 530 G HN 0.479 nan 8.290 nan 0.000 0.533 531 L N -0.151 121.139 121.223 0.113 0.000 2.464 531 L HA 0.496 4.835 4.340 -0.002 0.000 0.264 531 L C 0.729 177.691 176.870 0.153 0.000 1.199 531 L CA 0.095 55.026 54.840 0.152 0.000 0.818 531 L CB 0.594 42.748 42.059 0.159 0.000 1.102 531 L HN 0.060 nan 8.230 nan 0.000 0.473 532 K N 1.254 121.779 120.400 0.208 0.000 2.443 532 K HA 0.512 4.831 4.320 -0.002 0.000 0.252 532 K C -1.465 175.288 176.600 0.255 0.000 0.933 532 K CA -0.694 55.735 56.287 0.237 0.000 0.792 532 K CB 2.631 35.321 32.500 0.317 0.000 1.185 532 K HN 0.197 nan 8.250 nan 0.000 0.425 533 V N 1.919 121.924 119.914 0.152 0.000 2.370 533 V HA 0.335 4.454 4.120 -0.002 0.000 0.279 533 V C 0.463 176.489 176.094 -0.114 0.000 1.029 533 V CA -0.753 61.583 62.300 0.060 0.000 0.870 533 V CB 1.427 33.273 31.823 0.038 0.000 0.984 533 V HN 0.921 nan 8.190 nan 0.000 0.451 534 G N 4.679 113.218 108.800 -0.435 0.000 2.356 534 G HA2 0.476 4.435 3.960 -0.002 0.000 0.300 534 G HA3 0.476 4.435 3.960 -0.002 0.000 0.300 534 G C -0.789 173.808 174.900 -0.505 0.000 1.107 534 G CA -0.318 44.068 45.100 -1.190 0.000 0.960 534 G HN 0.569 nan 8.290 nan 0.000 0.418 535 L N 4.352 125.381 121.223 -0.324 0.000 2.259 535 L HA 0.431 4.770 4.340 -0.002 0.000 0.288 535 L C -0.013 176.783 176.870 -0.123 0.000 1.051 535 L CA -0.545 54.207 54.840 -0.146 0.000 0.824 535 L CB 0.746 42.759 42.059 -0.077 0.000 1.206 535 L HN 0.371 nan 8.230 nan 0.000 0.429 536 L N 6.133 127.339 121.223 -0.028 0.000 2.283 536 L HA 0.642 4.981 4.340 -0.002 0.000 0.287 536 L C 0.416 177.400 176.870 0.190 0.000 1.073 536 L CA -0.139 54.778 54.840 0.129 0.000 0.822 536 L CB 0.367 42.672 42.059 0.410 0.000 1.186 536 L HN 0.781 nan 8.230 nan 0.000 0.436 537 A N 2.964 125.868 122.820 0.140 0.000 2.414 537 A HA 0.861 5.180 4.320 -0.002 0.000 0.278 537 A C -0.615 177.089 177.584 0.200 0.000 1.228 537 A CA -0.549 51.563 52.037 0.124 0.000 0.857 537 A CB 2.081 21.100 19.000 0.033 0.000 1.389 537 A HN 0.473 nan 8.150 nan 0.000 0.452 538 S N -1.294 114.491 115.700 0.142 0.000 2.548 538 S HA 0.411 4.880 4.470 -0.002 0.000 0.276 538 S C 0.623 175.282 174.600 0.098 0.000 1.129 538 S CA -0.006 58.286 58.200 0.153 0.000 0.931 538 S CB 1.377 64.662 63.200 0.142 0.000 1.068 538 S HN 1.890 nan 8.310 nan 0.000 0.480 539 V N 2.707 122.680 119.914 0.099 0.000 2.720 539 V HA 0.006 4.125 4.120 -0.002 0.000 0.256 539 V C 1.471 177.599 176.094 0.056 0.000 1.082 539 V CA 1.664 64.005 62.300 0.068 0.000 1.101 539 V CB -0.814 31.050 31.823 0.069 0.000 0.693 539 V HN 0.765 nan 8.190 nan 0.000 0.479 540 N N 0.716 119.454 118.700 0.063 0.000 2.494 540 N HA 0.042 4.781 4.740 -0.002 0.000 0.182 540 N C 0.424 175.958 175.510 0.040 0.000 1.076 540 N CA 0.742 53.821 53.050 0.048 0.000 0.908 540 N CB -0.050 38.467 38.487 0.050 0.000 0.967 540 N HN 0.544 nan 8.380 nan 0.000 0.449 541 K N 0.453 120.879 120.400 0.044 0.000 2.624 541 K HA 0.280 4.599 4.320 -0.002 0.000 0.200 541 K C -2.057 174.560 176.600 0.027 0.000 1.036 541 K CA -1.553 54.753 56.287 0.032 0.000 1.029 541 K CB 2.263 34.784 32.500 0.034 0.000 1.317 541 K HN -0.145 nan 8.250 nan 0.000 0.555 542 P HA -0.199 nan 4.420 nan 0.000 0.217 542 P C 1.173 178.479 177.300 0.010 0.000 1.148 542 P CA 1.105 64.215 63.100 0.017 0.000 0.828 542 P CB 0.352 32.060 31.700 0.014 0.000 0.783 543 A N -0.002 122.821 122.820 0.006 0.000 2.019 543 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 543 A C 2.368 179.949 177.584 -0.006 0.000 1.164 543 A CA 2.130 54.166 52.037 -0.002 0.000 0.644 543 A CB -1.535 17.461 19.000 -0.007 0.000 0.805 543 A HN 0.361 nan 8.150 nan 0.000 0.449 544 S N 0.068 115.770 115.700 0.002 0.000 2.368 544 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 544 S C 1.853 176.453 174.600 0.000 0.000 1.029 544 S CA 1.370 59.570 58.200 0.001 0.000 0.988 544 S CB -0.698 62.517 63.200 0.024 0.000 0.838 544 S HN 0.476 nan 8.310 nan 0.000 0.462 545 I N 2.241 122.815 120.570 0.008 0.000 2.315 545 I HA -0.075 4.094 4.170 -0.002 0.000 0.248 545 I C 2.982 179.097 176.117 -0.002 0.000 1.117 545 I CA 1.001 62.303 61.300 0.003 0.000 1.404 545 I CB -0.541 37.464 38.000 0.009 0.000 1.071 545 I HN 0.436 nan 8.210 nan 0.000 0.419 546 A N 0.043 122.862 122.820 -0.002 0.000 2.067 546 A HA -0.214 4.105 4.320 -0.002 0.000 0.219 546 A C 2.188 179.768 177.584 -0.007 0.000 1.158 546 A CA 1.184 53.219 52.037 -0.003 0.000 0.661 546 A CB -0.478 18.520 19.000 -0.003 0.000 0.801 546 A HN 0.480 nan 8.150 nan 0.000 0.452 547 Q N -0.607 119.184 119.800 -0.015 0.000 2.291 547 Q HA -0.101 4.238 4.340 -0.002 0.000 0.206 547 Q C 2.102 178.097 176.000 -0.008 0.000 0.976 547 Q CA 0.804 56.594 55.803 -0.021 0.000 0.875 547 Q CB -0.340 28.371 28.738 -0.044 0.000 0.927 547 Q HN 0.716 nan 8.270 nan 0.000 0.450 548 G N 1.132 109.929 108.800 -0.006 0.000 2.459 548 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.217 548 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.217 548 G C 1.483 176.388 174.900 0.008 0.000 1.183 548 G CA 0.900 46.000 45.100 -0.001 0.000 0.776 548 G HN 0.432 nan 8.290 nan 0.000 0.552 549 A N 0.341 123.165 122.820 0.007 0.000 1.969 549 A HA 0.057 4.376 4.320 -0.002 0.000 0.218 549 A C 2.199 179.790 177.584 0.012 0.000 1.169 549 A CA 2.059 54.102 52.037 0.010 0.000 0.635 549 A CB -0.351 18.654 19.000 0.008 0.000 0.810 549 A HN 0.422 nan 8.150 nan 0.000 0.445 550 K N -0.718 119.689 120.400 0.011 0.000 2.025 550 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 550 K C 1.891 178.507 176.600 0.027 0.000 1.049 550 K CA 1.490 57.786 56.287 0.014 0.000 0.933 550 K CB -0.282 32.222 32.500 0.006 0.000 0.714 550 K HN 0.326 nan 8.250 nan 0.000 0.438 551 L N 1.608 122.853 121.223 0.036 0.000 2.083 551 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 551 L C 2.404 179.301 176.870 0.046 0.000 1.083 551 L CA 1.765 56.643 54.840 0.064 0.000 0.752 551 L CB -0.614 41.500 42.059 0.091 0.000 0.899 551 L HN 0.273 nan 8.230 nan 0.000 0.433 552 Q N -0.474 119.345 119.800 0.032 0.000 2.084 552 Q HA -0.158 4.180 4.340 -0.002 0.000 0.202 552 Q C 2.189 178.201 176.000 0.019 0.000 0.978 552 Q CA 2.603 58.421 55.803 0.025 0.000 0.844 552 Q CB -0.587 28.163 28.738 0.020 0.000 0.898 552 Q HN 0.551 nan 8.270 nan 0.000 0.426 553 V N -1.615 118.310 119.914 0.018 0.000 2.490 553 V HA -0.082 4.037 4.120 -0.002 0.000 0.250 553 V C 2.045 178.147 176.094 0.014 0.000 1.061 553 V CA 1.866 64.174 62.300 0.013 0.000 1.064 553 V CB -1.434 30.397 31.823 0.012 0.000 0.670 553 V HN 0.363 nan 8.190 nan 0.000 0.461 554 A N -0.389 122.443 122.820 0.020 0.000 2.169 554 A HA 0.367 4.686 4.320 -0.002 0.000 0.212 554 A C 2.074 179.663 177.584 0.009 0.000 1.153 554 A CA 1.202 53.251 52.037 0.019 0.000 0.756 554 A CB -0.308 18.713 19.000 0.035 0.000 0.813 554 A HN 0.588 nan 8.150 nan 0.000 0.471 555 L N -0.584 120.646 121.223 0.011 0.000 2.701 555 L HA 0.019 4.357 4.340 -0.002 0.000 0.238 555 L C 2.429 179.300 176.870 0.003 0.000 1.106 555 L CA 0.825 55.667 54.840 0.004 0.000 0.898 555 L CB 0.102 42.168 42.059 0.011 0.000 1.188 555 L HN 0.448 nan 8.230 nan 0.000 0.508 556 S N -0.267 115.435 115.700 0.003 0.000 2.399 556 S HA -0.190 4.279 4.470 -0.002 0.000 0.231 556 S C 2.095 176.689 174.600 -0.010 0.000 1.022 556 S CA 1.316 59.514 58.200 -0.002 0.000 0.983 556 S CB -0.544 62.655 63.200 -0.002 0.000 0.803 556 S HN 0.515 nan 8.310 nan 0.000 0.480 557 S N 1.663 117.357 115.700 -0.009 0.000 2.474 557 S HA -0.004 4.465 4.470 -0.002 0.000 0.235 557 S C 1.585 176.174 174.600 -0.017 0.000 0.997 557 S CA 0.603 58.795 58.200 -0.014 0.000 0.949 557 S CB -0.713 62.481 63.200 -0.010 0.000 0.766 557 S HN 0.941 nan 8.310 nan 0.000 0.517 558 V N -2.734 117.171 119.914 -0.014 0.000 3.483 558 V HA 0.696 4.815 4.120 -0.002 0.000 0.301 558 V C 1.302 177.388 176.094 -0.013 0.000 1.389 558 V CA -0.038 62.254 62.300 -0.014 0.000 1.101 558 V CB -0.869 30.948 31.823 -0.010 0.000 0.971 558 V HN 0.701 nan 8.190 nan 0.000 0.434 559 G N 0.392 109.182 108.800 -0.016 0.000 2.147 559 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.244 559 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.244 559 G C -0.001 174.902 174.900 0.005 0.000 1.005 559 G CA 0.199 45.288 45.100 -0.018 0.000 0.713 559 G HN 0.854 nan 8.290 nan 0.000 0.515 560 V N 1.112 121.036 119.914 0.015 0.000 2.439 560 V HA 0.452 4.571 4.120 -0.002 0.000 0.282 560 V C -0.079 176.037 176.094 0.038 0.000 1.039 560 V CA -0.817 61.504 62.300 0.036 0.000 0.913 560 V CB 1.673 33.517 31.823 0.035 0.000 0.983 560 V HN 0.267 nan 8.190 nan 0.000 0.460 561 D N 3.111 123.545 120.400 0.058 0.000 2.175 561 D HA 0.446 5.085 4.640 -0.002 0.000 0.248 561 D C -0.466 175.875 176.300 0.070 0.000 1.047 561 D CA -0.161 53.875 54.000 0.060 0.000 0.883 561 D CB 2.351 43.195 40.800 0.073 0.000 1.180 561 D HN 0.236 nan 8.370 nan 0.000 0.438 562 V N 2.098 122.042 119.914 0.050 0.000 2.394 562 V HA 0.276 4.395 4.120 -0.002 0.000 0.282 562 V C 0.187 176.301 176.094 0.033 0.000 1.031 562 V CA -0.721 61.599 62.300 0.034 0.000 0.881 562 V CB 1.766 33.602 31.823 0.022 0.000 0.982 562 V HN 0.249 nan 8.190 nan 0.000 0.451 563 V N 5.769 125.692 119.914 0.015 0.000 2.357 563 V HA 0.339 4.458 4.120 -0.002 0.000 0.284 563 V C -0.025 176.030 176.094 -0.065 0.000 1.018 563 V CA -0.649 61.669 62.300 0.030 0.000 0.841 563 V CB 1.760 33.694 31.823 0.185 0.000 0.991 563 V HN 0.614 nan 8.190 nan 0.000 0.437 564 V N 6.323 126.213 119.914 -0.040 0.000 2.427 564 V HA 0.274 4.393 4.120 -0.002 0.000 0.268 564 V C 0.156 176.189 176.094 -0.101 0.000 1.046 564 V CA -0.209 62.048 62.300 -0.072 0.000 0.970 564 V CB 1.396 33.195 31.823 -0.039 0.000 1.001 564 V HN 0.620 nan 8.190 nan 0.000 0.476 565 V N 4.841 124.640 119.914 -0.191 0.000 2.435 565 V HA 0.926 5.044 4.120 -0.002 0.000 0.290 565 V C 0.357 176.162 176.094 -0.481 0.000 1.030 565 V CA -0.021 62.072 62.300 -0.345 0.000 0.881 565 V CB 1.225 32.777 31.823 -0.451 0.000 0.983 565 V HN 1.067 nan 8.190 nan 0.000 0.445 566 A N 3.277 125.815 122.820 -0.469 0.000 2.529 566 A HA 0.746 5.065 4.320 -0.002 0.000 0.296 566 A C 0.343 177.911 177.584 -0.026 0.000 1.205 566 A CA -0.463 51.441 52.037 -0.223 0.000 0.671 566 A CB 0.985 19.973 19.000 -0.020 0.000 1.301 566 A HN 0.646 nan 8.150 nan 0.000 0.450 567 E N 0.086 120.452 120.200 0.276 0.000 2.106 567 E HA -0.029 4.320 4.350 -0.002 0.000 0.192 567 E C 0.907 177.644 176.600 0.228 0.000 0.984 567 E CA 1.794 58.430 56.400 0.393 0.000 0.806 567 E CB -0.081 29.837 29.700 0.364 0.000 0.750 567 E HN 0.579 nan 8.360 nan 0.000 0.458 571 N N 2.032 120.742 118.700 0.016 0.000 2.356 571 N HA 0.125 4.864 4.740 -0.002 0.000 0.252 571 N C 0.253 175.770 175.510 0.012 0.000 1.241 571 N CA 1.315 54.373 53.050 0.014 0.000 0.861 571 N CB -0.129 38.365 38.487 0.013 0.000 1.075 571 N HN 0.620 nan 8.380 nan 0.000 0.461 572 N N -1.290 117.417 118.700 0.011 0.000 2.800 572 N HA -0.173 4.566 4.740 -0.002 0.000 0.250 572 N C -1.034 174.479 175.510 0.005 0.000 1.078 572 N CA 0.468 53.523 53.050 0.009 0.000 0.804 572 N CB -1.333 37.158 38.487 0.008 0.000 1.135 572 N HN 0.222 nan 8.380 nan 0.000 0.565 573 V N 1.118 121.035 119.914 0.004 0.000 2.465 573 V HA 0.184 4.303 4.120 -0.002 0.000 0.279 573 V C 1.226 177.321 176.094 0.002 0.000 1.045 573 V CA -0.283 62.014 62.300 -0.005 0.000 0.938 573 V CB 1.881 33.700 31.823 -0.007 0.000 0.986 573 V HN 0.039 nan 8.190 nan 0.000 0.467 574 D N 2.349 122.749 120.400 -0.000 0.000 2.262 574 D HA 0.135 4.774 4.640 -0.002 0.000 0.212 574 D C 0.466 176.782 176.300 0.027 0.000 0.964 574 D CA 0.743 54.757 54.000 0.022 0.000 0.875 574 D CB 0.948 41.771 40.800 0.039 0.000 0.996 574 D HN 0.686 nan 8.370 nan 0.000 0.497 575 E N -0.169 120.036 120.200 0.009 0.000 2.408 575 E HA 0.309 4.658 4.350 -0.002 0.000 0.275 575 E C -0.628 175.943 176.600 -0.048 0.000 0.935 575 E CA -0.603 55.804 56.400 0.012 0.000 0.775 575 E CB 2.275 32.013 29.700 0.065 0.000 1.277 575 E HN -0.076 nan 8.360 nan 0.000 0.455 576 T N -1.719 112.823 114.554 -0.021 0.000 2.918 576 T HA 0.212 4.560 4.350 -0.002 0.000 0.283 576 T C 0.704 175.372 174.700 -0.053 0.000 1.001 576 T CA -0.406 61.677 62.100 -0.028 0.000 1.041 576 T CB 0.445 69.349 68.868 0.060 0.000 1.028 576 T HN 0.393 nan 8.240 nan 0.000 0.511 577 Y N 0.906 121.210 120.300 0.005 0.000 2.151 577 Y HA -0.127 4.422 4.550 -0.002 0.000 0.284 577 Y C 3.256 179.152 175.900 -0.006 0.000 1.166 577 Y CA 2.000 60.049 58.100 -0.085 0.000 1.163 577 Y CB -0.829 37.377 38.460 -0.423 0.000 0.974 577 Y HN 0.785 nan 8.280 nan 0.000 0.511 578 S N -0.348 115.480 115.700 0.213 0.000 2.374 578 S HA -0.241 4.228 4.470 -0.002 0.000 0.227 578 S C 2.124 176.778 174.600 0.091 0.000 1.037 578 S CA 1.250 59.544 58.200 0.157 0.000 1.024 578 S CB -0.522 62.762 63.200 0.140 0.000 0.861 578 S HN 0.446 nan 8.310 nan 0.000 0.456 579 A N 0.106 122.971 122.820 0.075 0.000 2.238 579 A HA 0.422 4.741 4.320 -0.002 0.000 0.208 579 A C 0.962 178.573 177.584 0.045 0.000 1.177 579 A CA 0.037 52.104 52.037 0.050 0.000 0.804 579 A CB -0.049 18.977 19.000 0.043 0.000 0.823 579 A HN 0.431 nan 8.150 nan 0.000 0.482 580 S N -0.732 115.008 115.700 0.067 0.000 2.664 580 S HA 0.600 5.068 4.470 -0.002 0.000 0.304 580 S C -0.931 173.712 174.600 0.072 0.000 1.099 580 S CA -0.597 57.655 58.200 0.087 0.000 1.003 580 S CB 1.630 64.945 63.200 0.192 0.000 1.092 580 S HN 0.469 nan 8.310 nan 0.000 0.525 581 D N -1.171 119.244 120.400 0.025 0.000 2.717 581 D HA 0.548 5.187 4.640 -0.002 0.000 0.223 581 D C 0.473 176.780 176.300 0.012 0.000 1.240 581 D CA -0.389 53.622 54.000 0.019 0.000 0.801 581 D CB 1.068 41.843 40.800 -0.042 0.000 1.556 581 D HN 0.448 nan 8.370 nan 0.000 0.462 582 A N 1.269 124.161 122.820 0.120 0.000 1.958 582 A HA -0.166 4.153 4.320 -0.002 0.000 0.221 582 A C 2.123 179.754 177.584 0.079 0.000 1.178 582 A CA 2.304 54.457 52.037 0.193 0.000 0.642 582 A CB -1.043 18.044 19.000 0.146 0.000 0.816 582 A HN 0.927 nan 8.150 nan 0.000 0.453 583 V N -2.652 117.241 119.914 -0.036 0.000 3.241 583 V HA -0.190 3.929 4.120 -0.002 0.000 0.269 583 V C 1.712 177.626 176.094 -0.299 0.000 1.151 583 V CA 1.962 64.138 62.300 -0.206 0.000 1.158 583 V CB -1.068 30.535 31.823 -0.367 0.000 0.764 583 V HN 0.638 nan 8.190 nan 0.000 0.508 584 Q N -0.286 119.270 119.800 -0.407 0.000 2.378 584 Q HA 0.214 4.553 4.340 -0.002 0.000 0.205 584 Q C -0.410 175.354 176.000 -0.394 0.000 0.954 584 Q CA 0.711 56.213 55.803 -0.502 0.000 0.901 584 Q CB 0.162 28.291 28.738 -1.016 0.000 0.981 584 Q HN 0.711 nan 8.270 nan 0.000 0.483 585 F N -0.279 119.779 119.950 0.181 0.000 2.529 585 F HA 0.241 4.767 4.527 -0.002 0.000 0.320 585 F C 0.593 176.494 175.800 0.168 0.000 1.118 585 F CA -1.673 56.428 58.000 0.167 0.000 0.915 585 F CB 1.396 40.472 39.000 0.127 0.000 1.161 585 F HN -0.173 nan 8.300 nan 0.000 0.445 586 D N 1.526 122.142 120.400 0.361 0.000 2.234 586 D HA 0.138 4.777 4.640 -0.002 0.000 0.205 586 D C 0.462 176.871 176.300 0.182 0.000 0.962 586 D CA 0.848 54.997 54.000 0.248 0.000 0.855 586 D CB 0.541 41.507 40.800 0.277 0.000 0.951 586 D HN 0.425 nan 8.370 nan 0.000 0.500 587 A N 0.453 123.400 122.820 0.212 0.000 2.475 587 A HA 0.555 4.874 4.320 -0.002 0.000 0.301 587 A C -0.972 176.696 177.584 0.140 0.000 1.059 587 A CA -0.536 51.595 52.037 0.157 0.000 0.710 587 A CB 2.271 21.335 19.000 0.106 0.000 1.288 587 A HN -0.082 nan 8.150 nan 0.000 0.408 588 V N 1.763 121.749 119.914 0.120 0.000 2.487 588 V HA 0.577 4.696 4.120 -0.002 0.000 0.298 588 V C -0.688 175.445 176.094 0.065 0.000 1.028 588 V CA -0.488 61.849 62.300 0.062 0.000 0.860 588 V CB 1.586 33.484 31.823 0.124 0.000 0.991 588 V HN 0.708 nan 8.190 nan 0.000 0.427 589 V N 5.266 125.196 119.914 0.027 0.000 2.531 589 V HA 0.441 4.559 4.120 -0.002 0.000 0.301 589 V C -0.225 175.863 176.094 -0.009 0.000 1.034 589 V CA -0.731 61.608 62.300 0.066 0.000 0.865 589 V CB 2.238 34.158 31.823 0.162 0.000 0.995 589 V HN 0.605 nan 8.190 nan 0.000 0.424 590 V N 4.444 124.312 119.914 -0.076 0.000 2.432 590 V HA 0.568 4.687 4.120 -0.002 0.000 0.271 590 V C 0.835 176.854 176.094 -0.126 0.000 1.046 590 V CA -0.265 61.934 62.300 -0.168 0.000 0.945 590 V CB 1.213 32.778 31.823 -0.430 0.000 0.992 590 V HN 1.010 nan 8.190 nan 0.000 0.471 591 A N 3.708 126.490 122.820 -0.063 0.000 2.386 591 A HA 0.317 4.636 4.320 -0.002 0.000 0.248 591 A C 0.245 177.785 177.584 -0.073 0.000 1.082 591 A CA -0.326 51.671 52.037 -0.065 0.000 0.789 591 A CB 0.180 19.170 19.000 -0.017 0.000 1.025 591 A HN 0.839 nan 8.150 nan 0.000 0.490 592 D N 0.343 120.689 120.400 -0.090 0.000 2.401 592 D HA 0.400 5.039 4.640 -0.002 0.000 0.254 592 D C 1.216 177.495 176.300 -0.034 0.000 1.192 592 D CA 1.787 55.741 54.000 -0.077 0.000 0.885 592 D CB 0.292 41.038 40.800 -0.091 0.000 1.147 592 D HN 1.112 nan 8.370 nan 0.000 0.478 593 G N 2.702 111.491 108.800 -0.018 0.000 2.218 593 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 593 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 593 G C 0.919 175.850 174.900 0.052 0.000 0.994 593 G CA 0.405 45.513 45.100 0.012 0.000 0.637 593 G HN 0.819 nan 8.290 nan 0.000 0.505 594 A N 0.912 123.777 122.820 0.074 0.000 2.238 594 A HA 0.404 4.723 4.320 -0.002 0.000 0.210 594 A C 2.011 179.755 177.584 0.267 0.000 1.179 594 A CA 1.560 53.707 52.037 0.183 0.000 0.827 594 A CB -0.260 18.895 19.000 0.259 0.000 0.856 594 A HN 0.712 nan 8.150 nan 0.000 0.488 595 E N 0.367 120.640 120.200 0.121 0.000 2.209 595 E HA -0.164 4.185 4.350 -0.002 0.000 0.196 595 E C 1.682 178.425 176.600 0.239 0.000 0.993 595 E CA 1.399 57.869 56.400 0.117 0.000 0.819 595 E CB -1.088 28.605 29.700 -0.013 0.000 0.745 595 E HN 0.382 nan 8.360 nan 0.000 0.477 596 G N 1.509 110.406 108.800 0.161 0.000 2.498 596 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.219 596 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.219 596 G C 1.623 176.585 174.900 0.103 0.000 1.119 596 G CA 0.423 45.591 45.100 0.114 0.000 0.766 596 G HN 0.256 nan 8.290 nan 0.000 0.552 597 L N -0.778 120.519 121.223 0.123 0.000 2.599 597 L HA 0.269 4.608 4.340 -0.002 0.000 0.230 597 L C 0.844 177.509 176.870 -0.343 0.000 1.141 597 L CA 0.072 54.827 54.840 -0.143 0.000 0.877 597 L CB 0.035 41.866 42.059 -0.380 0.000 1.009 597 L HN 0.106 nan 8.230 nan 0.000 0.447 598 F N 0.007 119.935 119.950 -0.037 0.000 2.772 598 F HA 0.329 4.855 4.527 -0.002 0.000 0.302 598 F C 1.501 177.297 175.800 -0.006 0.000 1.136 598 F CA -0.844 57.142 58.000 -0.023 0.000 1.322 598 F CB -0.036 38.946 39.000 -0.030 0.000 0.967 598 F HN -0.127 nan 8.300 nan 0.000 0.513 599 G N 0.237 109.100 108.800 0.105 0.000 2.380 599 G HA2 0.305 4.264 3.960 -0.002 0.000 0.242 599 G HA3 0.305 4.264 3.960 -0.002 0.000 0.242 599 G C 1.040 175.976 174.900 0.060 0.000 1.298 599 G CA 0.144 45.287 45.100 0.071 0.000 0.878 599 G HN 0.416 nan 8.290 nan 0.000 0.542 600 A N 1.808 124.642 122.820 0.023 0.000 2.125 600 A HA -0.025 4.294 4.320 -0.002 0.000 0.219 600 A C 1.695 179.268 177.584 -0.018 0.000 1.156 600 A CA 1.644 53.667 52.037 -0.024 0.000 0.671 600 A CB -0.020 18.948 19.000 -0.053 0.000 0.794 600 A HN 0.512 nan 8.150 nan 0.000 0.459 601 D N -0.604 119.807 120.400 0.017 0.000 2.340 601 D HA 0.005 4.644 4.640 -0.002 0.000 0.220 601 D C 2.030 178.378 176.300 0.081 0.000 1.039 601 D CA 0.936 54.955 54.000 0.031 0.000 0.866 601 D CB 0.023 40.834 40.800 0.019 0.000 0.913 601 D HN 0.569 nan 8.370 nan 0.000 0.523 602 S N -0.809 114.965 115.700 0.124 0.000 2.474 602 S HA -0.082 4.387 4.470 -0.002 0.000 0.235 602 S C 1.867 176.598 174.600 0.219 0.000 0.997 602 S CA 0.277 58.561 58.200 0.141 0.000 0.949 602 S CB -0.678 62.587 63.200 0.109 0.000 0.766 602 S HN 0.265 nan 8.310 nan 0.000 0.517 603 F N 2.623 122.560 119.950 -0.022 0.000 2.259 603 F HA -0.003 4.523 4.527 -0.002 0.000 0.298 603 F C 2.686 178.477 175.800 -0.014 0.000 1.088 603 F CA 1.021 59.011 58.000 -0.017 0.000 1.358 603 F CB 0.055 39.046 39.000 -0.015 0.000 1.040 603 F HN 0.460 nan 8.300 nan 0.000 0.505 604 T N -3.935 110.724 114.554 0.174 0.000 3.058 604 T HA 0.233 4.582 4.350 -0.002 0.000 0.278 604 T C 0.296 175.026 174.700 0.049 0.000 0.974 604 T CA -0.102 62.056 62.100 0.095 0.000 0.893 604 T CB -0.751 68.166 68.868 0.081 0.000 1.138 604 T HN -0.210 nan 8.240 nan 0.000 0.529 605 V N 2.790 122.730 119.914 0.043 0.000 2.644 605 V HA 0.072 4.191 4.120 -0.002 0.000 0.305 605 V C 0.761 176.858 176.094 0.005 0.000 1.053 605 V CA -0.053 62.258 62.300 0.019 0.000 1.186 605 V CB 0.382 32.212 31.823 0.012 0.000 0.895 605 V HN 0.566 nan 8.190 nan 0.000 0.490 606 E N 7.960 128.160 120.200 0.000 0.000 2.299 606 E HA 0.109 4.458 4.350 -0.002 0.000 0.272 606 E C -2.059 174.532 176.600 -0.016 0.000 1.043 606 E CA -1.574 54.822 56.400 -0.007 0.000 0.895 606 E CB 0.817 30.514 29.700 -0.006 0.000 1.011 606 E HN 0.479 nan 8.360 nan 0.000 0.432 607 P HA 0.024 nan 4.420 nan 0.000 0.220 607 P C -0.649 176.632 177.300 -0.032 0.000 1.806 607 P CA -0.214 62.864 63.100 -0.036 0.000 0.976 607 P CB -0.169 31.501 31.700 -0.049 0.000 1.952 608 S N 0.412 116.097 115.700 -0.025 0.000 2.608 608 S HA 0.392 4.861 4.470 -0.002 0.000 0.261 608 S C 1.723 176.308 174.600 -0.025 0.000 1.314 608 S CA -0.096 58.092 58.200 -0.022 0.000 0.992 608 S CB 0.805 63.995 63.200 -0.016 0.000 0.935 608 S HN 0.216 nan 8.310 nan 0.000 0.564 609 A N 1.174 123.981 122.820 -0.022 0.000 1.978 609 A HA 0.115 4.434 4.320 -0.002 0.000 0.220 609 A C 2.025 179.596 177.584 -0.022 0.000 1.170 609 A CA 1.545 53.568 52.037 -0.023 0.000 0.636 609 A CB -1.564 17.425 19.000 -0.019 0.000 0.810 609 A HN 1.159 nan 8.150 nan 0.000 0.448 610 G N -0.640 108.149 108.800 -0.019 0.000 2.985 610 G HA2 0.116 4.075 3.960 -0.002 0.000 0.209 610 G HA3 0.116 4.075 3.960 -0.002 0.000 0.209 610 G C 1.573 176.462 174.900 -0.018 0.000 1.165 610 G CA 1.066 46.156 45.100 -0.017 0.000 0.776 610 G HN 0.746 nan 8.290 nan 0.000 0.541 611 S N -0.478 115.209 115.700 -0.022 0.000 2.428 611 S HA 0.268 4.737 4.470 -0.002 0.000 0.230 611 S C 2.045 176.629 174.600 -0.026 0.000 1.014 611 S CA 1.154 59.340 58.200 -0.022 0.000 0.957 611 S CB -0.222 62.962 63.200 -0.026 0.000 0.784 611 S HN 1.390 nan 8.310 nan 0.000 0.499 612 G N 1.070 109.850 108.800 -0.033 0.000 2.159 612 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.256 612 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.256 612 G C 0.235 175.099 174.900 -0.060 0.000 0.977 612 G CA 0.035 45.113 45.100 -0.038 0.000 0.652 612 G HN 1.329 nan 8.290 nan 0.000 0.531 613 A N 0.146 122.923 122.820 -0.071 0.000 2.511 613 A HA 0.644 4.963 4.320 -0.002 0.000 0.242 613 A C 0.935 178.419 177.584 -0.166 0.000 1.069 613 A CA 1.174 53.146 52.037 -0.108 0.000 0.763 613 A CB 0.544 19.488 19.000 -0.094 0.000 1.001 613 A HN 1.546 nan 8.150 nan 0.000 0.498 614 S N 0.495 116.022 115.700 -0.287 0.000 2.565 614 S HA 0.318 4.787 4.470 -0.002 0.000 0.276 614 S C 1.487 175.866 174.600 -0.367 0.000 1.326 614 S CA 0.148 58.111 58.200 -0.396 0.000 1.045 614 S CB 0.425 63.140 63.200 -0.807 0.000 0.918 614 S HN 1.129 nan 8.310 nan 0.000 0.505 615 T N 2.970 117.376 114.554 -0.247 0.000 3.107 615 T HA 0.204 4.553 4.350 -0.002 0.000 0.249 615 T C 1.342 175.938 174.700 -0.175 0.000 1.096 615 T CA 0.155 62.146 62.100 -0.182 0.000 1.012 615 T CB -0.297 68.509 68.868 -0.103 0.000 0.977 615 T HN 0.556 nan 8.240 nan 0.000 0.527 616 L N 0.373 121.449 121.223 -0.245 0.000 2.554 616 L HA 0.309 4.648 4.340 -0.002 0.000 0.226 616 L C 0.086 176.982 176.870 0.043 0.000 1.137 616 L CA -0.098 54.698 54.840 -0.072 0.000 0.863 616 L CB -0.198 41.878 42.059 0.029 0.000 0.985 616 L HN 0.539 nan 8.230 nan 0.000 0.451 617 Y N -4.479 115.814 120.300 -0.012 0.000 2.641 617 Y HA 0.616 5.165 4.550 -0.002 0.000 0.333 617 Y C -3.033 172.828 175.900 -0.065 0.000 1.174 617 Y CA -3.463 54.625 58.100 -0.020 0.000 1.057 617 Y CB -0.364 38.100 38.460 0.007 0.000 1.322 617 Y HN -0.267 nan 8.280 nan 0.000 0.457 618 P HA 0.277 nan 4.420 nan 0.000 0.269 618 P C -0.505 176.806 177.300 0.017 0.000 1.209 618 P CA 0.279 63.388 63.100 0.015 0.000 0.776 618 P CB 0.550 32.239 31.700 -0.019 0.000 0.876 619 A N 2.750 125.524 122.820 -0.077 0.000 2.580 619 A HA 0.357 4.676 4.320 -0.002 0.000 0.244 619 A C 1.564 179.007 177.584 -0.235 0.000 1.045 619 A CA 0.832 52.808 52.037 -0.101 0.000 0.761 619 A CB -1.500 17.446 19.000 -0.091 0.000 0.962 619 A HN 0.927 nan 8.150 nan 0.000 0.512 620 G N 2.062 110.755 108.800 -0.178 0.000 2.179 620 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.260 620 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.260 620 G C 1.123 175.799 174.900 -0.373 0.000 0.977 620 G CA 1.085 45.977 45.100 -0.347 0.000 0.641 620 G HN 1.147 nan 8.290 nan 0.000 0.533 621 R N 1.645 121.980 120.500 -0.276 0.000 2.096 621 R HA -0.024 4.315 4.340 -0.002 0.000 0.240 621 R C 0.085 176.182 176.300 -0.338 0.000 1.139 621 R CA 2.577 58.513 56.100 -0.273 0.000 0.952 621 R CB -1.357 28.833 30.300 -0.183 0.000 0.854 621 R HN 0.477 nan 8.270 nan 0.000 0.436 622 P HA -0.131 nan 4.420 nan 0.000 0.215 622 P C 1.237 178.309 177.300 -0.380 0.000 1.157 622 P CA 0.965 63.577 63.100 -0.813 0.000 0.868 622 P CB -0.120 30.562 31.700 -1.695 0.000 0.788 623 L N -0.450 120.613 121.223 -0.266 0.000 2.141 623 L HA -0.071 4.268 4.340 -0.002 0.000 0.209 623 L C 1.927 178.954 176.870 0.262 0.000 1.094 623 L CA 1.841 56.795 54.840 0.191 0.000 0.763 623 L CB -1.666 40.552 42.059 0.265 0.000 0.908 623 L HN -0.137 nan 8.230 nan 0.000 0.437 624 N N -0.022 118.806 118.700 0.214 0.000 2.104 624 N HA -0.199 4.540 4.740 -0.002 0.000 0.190 624 N C 1.810 177.387 175.510 0.113 0.000 1.024 624 N CA 1.920 55.090 53.050 0.199 0.000 0.853 624 N CB -0.237 38.234 38.487 -0.027 0.000 1.008 624 N HN 0.482 nan 8.380 nan 0.000 0.424 625 I N -0.306 120.330 120.570 0.111 0.000 2.179 625 I HA -0.241 3.928 4.170 -0.002 0.000 0.242 625 I C 2.085 178.303 176.117 0.167 0.000 1.088 625 I CA 0.613 62.005 61.300 0.154 0.000 1.357 625 I CB -0.252 37.887 38.000 0.232 0.000 1.051 625 I HN 0.193 nan 8.210 nan 0.000 0.409 626 L N 0.666 122.023 121.223 0.225 0.000 2.017 626 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 626 L C 2.279 179.219 176.870 0.116 0.000 1.073 626 L CA 1.853 56.807 54.840 0.190 0.000 0.745 626 L CB -0.471 41.734 42.059 0.244 0.000 0.894 626 L HN 0.123 nan 8.230 nan 0.000 0.432 627 L N -0.802 120.479 121.223 0.096 0.000 2.056 627 L HA -0.187 4.152 4.340 -0.002 0.000 0.207 627 L C 2.269 179.108 176.870 -0.051 0.000 1.078 627 L CA 1.222 56.086 54.840 0.041 0.000 0.749 627 L CB -0.799 41.278 42.059 0.030 0.000 0.901 627 L HN 0.270 nan 8.230 nan 0.000 0.433 628 D N 0.242 120.550 120.400 -0.153 0.000 2.117 628 D HA -0.168 4.471 4.640 -0.002 0.000 0.197 628 D C 2.232 178.192 176.300 -0.566 0.000 0.987 628 D CA 1.517 55.183 54.000 -0.556 0.000 0.829 628 D CB -0.077 40.438 40.800 -0.474 0.000 0.961 628 D HN 0.297 nan 8.370 nan 0.000 0.460 629 A N 0.339 123.077 122.820 -0.136 0.000 1.883 629 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 629 A C 2.165 179.774 177.584 0.041 0.000 1.186 629 A CA 1.274 53.332 52.037 0.035 0.000 0.624 629 A CB -1.050 18.034 19.000 0.141 0.000 0.822 629 A HN 0.270 nan 8.150 nan 0.000 0.444 630 F N 0.502 120.403 119.950 -0.083 0.000 2.075 630 F HA -0.136 4.390 4.527 -0.002 0.000 0.297 630 F C 2.474 178.217 175.800 -0.095 0.000 1.113 630 F CA 1.923 59.877 58.000 -0.077 0.000 1.218 630 F CB -0.257 38.686 39.000 -0.095 0.000 0.984 630 F HN 0.091 nan 8.300 nan 0.000 0.472 631 R N -0.821 119.628 120.500 -0.085 0.000 2.120 631 R HA -0.165 4.174 4.340 -0.002 0.000 0.234 631 R C 1.940 178.211 176.300 -0.049 0.000 1.123 631 R CA 1.304 57.309 56.100 -0.158 0.000 0.975 631 R CB -0.625 29.604 30.300 -0.119 0.000 0.866 631 R HN 0.278 nan 8.270 nan 0.000 0.446 632 F N -0.390 119.550 119.950 -0.017 0.000 2.748 632 F HA 0.175 4.701 4.527 -0.002 0.000 0.299 632 F C 1.716 177.623 175.800 0.179 0.000 1.154 632 F CA 0.777 58.836 58.000 0.097 0.000 1.446 632 F CB -0.331 38.691 39.000 0.036 0.000 1.112 632 F HN 0.263 nan 8.300 nan 0.000 0.584 633 G N 0.303 109.199 108.800 0.160 0.000 2.144 633 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.218 633 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.218 633 G C 0.478 175.481 174.900 0.172 0.000 0.988 633 G CA -0.326 44.869 45.100 0.157 0.000 0.659 633 G HN 0.338 nan 8.290 nan 0.000 0.522 634 K N 0.819 121.289 120.400 0.117 0.000 2.168 634 K HA 0.457 4.775 4.320 -0.002 0.000 0.258 634 K C 0.693 177.404 176.600 0.185 0.000 1.010 634 K CA -0.047 56.313 56.287 0.121 0.000 0.929 634 K CB 0.441 33.012 32.500 0.119 0.000 0.998 634 K HN 0.084 nan 8.250 nan 0.000 0.479 635 T N 1.655 116.357 114.554 0.247 0.000 2.866 635 T HA 0.058 4.407 4.350 -0.002 0.000 0.293 635 T C -0.167 174.627 174.700 0.156 0.000 1.005 635 T CA -0.064 62.174 62.100 0.231 0.000 1.162 635 T CB 0.079 69.106 68.868 0.266 0.000 0.968 635 T HN 0.146 nan 8.240 nan 0.000 0.530 636 V N 2.711 122.701 119.914 0.126 0.000 2.656 636 V HA 0.858 4.977 4.120 -0.002 0.000 0.307 636 V C 0.535 176.726 176.094 0.162 0.000 1.051 636 V CA -0.564 61.814 62.300 0.130 0.000 0.893 636 V CB 2.235 34.142 31.823 0.139 0.000 0.999 636 V HN 1.063 nan 8.190 nan 0.000 0.426 637 G N 2.112 111.018 108.800 0.177 0.000 2.725 637 G HA2 0.912 4.871 3.960 -0.002 0.000 0.288 637 G HA3 0.912 4.871 3.960 -0.002 0.000 0.288 637 G C -1.426 173.572 174.900 0.164 0.000 1.399 637 G CA -0.253 45.014 45.100 0.279 0.000 0.859 637 G HN 1.237 nan 8.290 nan 0.000 0.479 638 A N -0.282 122.627 122.820 0.148 0.000 2.517 638 A HA 0.701 5.020 4.320 -0.002 0.000 0.297 638 A C -1.307 176.168 177.584 -0.181 0.000 1.050 638 A CA -0.480 51.523 52.037 -0.057 0.000 0.694 638 A CB 1.170 20.107 19.000 -0.105 0.000 1.277 638 A HN 0.708 nan 8.150 nan 0.000 0.400 639 L N 2.696 123.749 121.223 -0.284 0.000 2.282 639 L HA 0.626 4.965 4.340 -0.002 0.000 0.288 639 L C 1.296 178.041 176.870 -0.209 0.000 1.033 639 L CA 0.568 55.188 54.840 -0.367 0.000 0.807 639 L CB 1.306 43.108 42.059 -0.427 0.000 1.209 639 L HN 1.470 nan 8.230 nan 0.000 0.423 640 G N 2.364 111.061 108.800 -0.172 0.000 2.596 640 G HA2 -0.347 3.611 3.960 -0.002 0.000 0.295 640 G HA3 -0.347 3.611 3.960 -0.002 0.000 0.295 640 G C 0.792 175.635 174.900 -0.095 0.000 1.240 640 G CA 0.359 45.392 45.100 -0.112 0.000 0.985 640 G HN 0.570 nan 8.290 nan 0.000 0.555 641 S N 1.529 117.182 115.700 -0.078 0.000 2.603 641 S HA 0.134 4.603 4.470 -0.002 0.000 0.229 641 S C 2.347 176.896 174.600 -0.086 0.000 0.972 641 S CA 1.513 59.672 58.200 -0.068 0.000 0.935 641 S CB -0.444 62.727 63.200 -0.047 0.000 0.769 641 S HN 1.451 nan 8.310 nan 0.000 0.536 642 G N 2.057 110.791 108.800 -0.111 0.000 2.479 642 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.220 642 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.220 642 G C 1.543 176.334 174.900 -0.182 0.000 1.115 642 G CA 1.209 46.215 45.100 -0.156 0.000 0.757 642 G HN 0.681 nan 8.290 nan 0.000 0.560 643 S N 0.819 116.438 115.700 -0.136 0.000 2.442 643 S HA -0.116 4.353 4.470 -0.002 0.000 0.236 643 S C 1.692 176.217 174.600 -0.125 0.000 1.007 643 S CA 1.500 59.626 58.200 -0.124 0.000 0.965 643 S CB -0.187 62.960 63.200 -0.088 0.000 0.773 643 S HN 0.278 nan 8.310 nan 0.000 0.504 644 D N 2.538 122.873 120.400 -0.109 0.000 2.182 644 D HA 0.020 4.659 4.640 -0.002 0.000 0.201 644 D C 2.174 178.411 176.300 -0.106 0.000 0.986 644 D CA 1.339 55.287 54.000 -0.087 0.000 0.847 644 D CB -0.639 40.127 40.800 -0.055 0.000 0.942 644 D HN 0.588 nan 8.370 nan 0.000 0.467 645 A N 0.422 123.132 122.820 -0.183 0.000 1.933 645 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 645 A C 2.319 179.779 177.584 -0.206 0.000 1.175 645 A CA 0.815 52.697 52.037 -0.257 0.000 0.628 645 A CB -0.665 17.849 19.000 -0.810 0.000 0.814 645 A HN 0.230 nan 8.150 nan 0.000 0.444 646 L N -0.601 120.496 121.223 -0.210 0.000 2.046 646 L HA -0.227 4.112 4.340 -0.002 0.000 0.208 646 L C 2.590 179.365 176.870 -0.158 0.000 1.077 646 L CA 1.747 56.477 54.840 -0.183 0.000 0.747 646 L CB -0.765 41.194 42.059 -0.167 0.000 0.896 646 L HN 0.494 nan 8.230 nan 0.000 0.432 647 E N -0.140 119.985 120.200 -0.126 0.000 2.077 647 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 647 E C 2.328 178.874 176.600 -0.090 0.000 0.989 647 E CA 1.435 57.772 56.400 -0.104 0.000 0.800 647 E CB -0.109 29.543 29.700 -0.080 0.000 0.746 647 E HN 0.369 nan 8.360 nan 0.000 0.452 648 S N 0.419 116.079 115.700 -0.066 0.000 2.383 648 S HA -0.114 4.355 4.470 -0.002 0.000 0.229 648 S C 1.944 176.509 174.600 -0.058 0.000 1.030 648 S CA 1.121 59.299 58.200 -0.036 0.000 1.002 648 S CB -0.238 62.977 63.200 0.026 0.000 0.829 648 S HN 0.457 nan 8.310 nan 0.000 0.467 649 G N -0.073 108.680 108.800 -0.078 0.000 2.985 649 G HA2 0.122 4.081 3.960 -0.002 0.000 0.209 649 G HA3 0.122 4.081 3.960 -0.002 0.000 0.209 649 G C 0.097 174.888 174.900 -0.182 0.000 1.165 649 G CA -0.236 44.797 45.100 -0.112 0.000 0.776 649 G HN 0.523 nan 8.290 nan 0.000 0.541 650 Q N -1.060 118.636 119.800 -0.173 0.000 2.468 650 Q HA -0.168 4.171 4.340 -0.002 0.000 0.289 650 Q C -0.466 175.356 176.000 -0.298 0.000 1.299 650 Q CA 0.439 56.126 55.803 -0.194 0.000 0.838 650 Q CB -1.714 26.927 28.738 -0.161 0.000 1.195 650 Q HN 0.531 nan 8.270 nan 0.000 0.456 651 I N 0.437 120.800 120.570 -0.345 0.000 2.355 651 I HA 0.267 4.436 4.170 -0.002 0.000 0.288 651 I C 0.319 176.248 176.117 -0.312 0.000 0.999 651 I CA -0.470 60.522 61.300 -0.512 0.000 1.163 651 I CB 1.817 39.468 38.000 -0.583 0.000 1.316 651 I HN 0.039 nan 8.210 nan 0.000 0.454 652 S N 3.329 118.869 115.700 -0.267 0.000 2.525 652 S HA 0.166 4.635 4.470 -0.002 0.000 0.278 652 S C 1.199 175.712 174.600 -0.145 0.000 1.234 652 S CA -0.485 57.616 58.200 -0.165 0.000 1.058 652 S CB 1.167 64.294 63.200 -0.122 0.000 0.983 652 S HN 0.733 nan 8.310 nan 0.000 0.495 653 S N 3.448 119.076 115.700 -0.120 0.000 2.555 653 S HA 0.021 4.490 4.470 -0.002 0.000 0.230 653 S C 1.057 175.584 174.600 -0.121 0.000 0.978 653 S CA 0.218 58.346 58.200 -0.119 0.000 0.934 653 S CB -0.276 62.874 63.200 -0.082 0.000 0.766 653 S HN 0.803 nan 8.310 nan 0.000 0.533 654 E N 1.203 121.345 120.200 -0.095 0.000 2.274 654 E HA 0.035 4.384 4.350 -0.002 0.000 0.194 654 E C 0.464 177.013 176.600 -0.086 0.000 0.996 654 E CA 0.344 56.697 56.400 -0.079 0.000 0.840 654 E CB -0.059 29.606 29.700 -0.058 0.000 0.772 654 E HN 0.489 nan 8.360 nan 0.000 0.491 655 R N 1.854 122.302 120.500 -0.088 0.000 2.694 655 R HA 0.100 4.439 4.340 -0.002 0.000 0.268 655 R C 0.716 176.914 176.300 -0.170 0.000 1.061 655 R CA -0.053 56.009 56.100 -0.064 0.000 1.133 655 R CB 0.258 30.588 30.300 0.049 0.000 1.020 655 R HN 0.098 nan 8.270 nan 0.000 0.475 656 Q N 0.190 119.900 119.800 -0.150 0.000 2.337 656 Q HA 0.140 4.479 4.340 -0.002 0.000 0.270 656 Q C 0.982 176.552 176.000 -0.716 0.000 1.002 656 Q CA 0.935 56.588 55.803 -0.251 0.000 0.888 656 Q CB 0.661 29.416 28.738 0.029 0.000 1.222 656 Q HN 0.896 nan 8.270 nan 0.000 0.400 657 G N 1.261 109.324 108.800 -1.228 0.000 2.143 657 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.248 657 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.248 657 G C -0.177 174.127 174.900 -0.993 0.000 0.991 657 G CA 0.203 44.173 45.100 -1.882 0.000 0.689 657 G HN 0.403 nan 8.290 nan 0.000 0.522 658 V N 0.335 119.711 119.914 -0.896 0.000 2.444 658 V HA 0.704 4.823 4.120 -0.002 0.000 0.294 658 V C -0.537 175.190 176.094 -0.611 0.000 1.022 658 V CA -1.059 60.958 62.300 -0.472 0.000 0.850 658 V CB 1.247 32.944 31.823 -0.210 0.000 0.992 658 V HN 0.268 nan 8.190 nan 0.000 0.426 659 Y N 1.996 122.278 120.300 -0.031 0.000 2.425 659 Y HA 0.725 5.274 4.550 -0.002 0.000 0.344 659 Y C 0.537 176.534 175.900 0.162 0.000 0.969 659 Y CA -0.813 57.302 58.100 0.025 0.000 1.052 659 Y CB 2.461 40.886 38.460 -0.059 0.000 1.215 659 Y HN 0.694 nan 8.280 nan 0.000 0.451 660 T N -0.734 114.000 114.554 0.300 0.000 2.924 660 T HA 0.965 5.314 4.350 -0.002 0.000 0.291 660 T C -0.196 174.666 174.700 0.269 0.000 1.045 660 T CA -0.738 61.502 62.100 0.234 0.000 1.015 660 T CB 2.074 70.983 68.868 0.068 0.000 1.103 660 T HN 1.004 nan 8.240 nan 0.000 0.496 661 G N 0.070 108.920 108.800 0.083 0.000 2.649 661 G HA2 0.467 4.426 3.960 -0.002 0.000 0.290 661 G HA3 0.467 4.426 3.960 -0.002 0.000 0.290 661 G C -0.019 174.814 174.900 -0.110 0.000 1.426 661 G CA -0.677 44.454 45.100 0.051 0.000 0.794 661 G HN 0.832 nan 8.290 nan 0.000 0.483 662 K N -0.741 119.620 120.400 -0.064 0.000 2.116 662 K HA 0.031 4.350 4.320 -0.002 0.000 0.203 662 K C 0.648 177.176 176.600 -0.119 0.000 1.052 662 K CA 1.623 57.866 56.287 -0.074 0.000 0.952 662 K CB -0.084 32.398 32.500 -0.031 0.000 0.729 662 K HN 0.657 nan 8.250 nan 0.000 0.446 663 N N -3.124 115.489 118.700 -0.146 0.000 3.179 663 N HA 0.154 4.893 4.740 -0.002 0.000 0.250 663 N C -0.918 174.493 175.510 -0.165 0.000 1.507 663 N CA -0.344 52.618 53.050 -0.146 0.000 0.883 663 N CB 0.790 39.235 38.487 -0.070 0.000 1.435 663 N HN -0.121 nan 8.380 nan 0.000 0.532 664 A N -0.817 121.936 122.820 -0.111 0.000 2.310 664 A HA 0.492 4.811 4.320 -0.002 0.000 0.230 664 A C 0.915 178.538 177.584 0.065 0.000 1.294 664 A CA 0.333 52.347 52.037 -0.038 0.000 0.898 664 A CB -1.529 17.452 19.000 -0.031 0.000 0.917 664 A HN 0.785 nan 8.150 nan 0.000 0.491 665 G N -0.928 107.906 108.800 0.058 0.000 2.494 665 G HA2 0.275 4.234 3.960 -0.002 0.000 0.270 665 G HA3 0.275 4.234 3.960 -0.002 0.000 0.270 665 G C 0.283 175.238 174.900 0.092 0.000 1.423 665 G CA 0.082 45.220 45.100 0.063 0.000 1.055 665 G HN 0.185 nan 8.290 nan 0.000 0.536 666 D N -0.217 120.217 120.400 0.057 0.000 2.144 666 D HA -0.107 4.532 4.640 -0.002 0.000 0.199 666 D C 2.660 178.987 176.300 0.046 0.000 0.984 666 D CA 1.422 55.448 54.000 0.043 0.000 0.834 666 D CB -0.404 40.411 40.800 0.024 0.000 0.955 666 D HN 0.323 nan 8.370 nan 0.000 0.465 667 A N 0.436 123.295 122.820 0.065 0.000 1.877 667 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 667 A C 2.117 179.753 177.584 0.086 0.000 1.186 667 A CA 1.094 53.170 52.037 0.065 0.000 0.620 667 A CB -0.981 18.064 19.000 0.075 0.000 0.822 667 A HN 0.258 nan 8.150 nan 0.000 0.443 668 F N 0.898 120.835 119.950 -0.023 0.000 2.146 668 F HA 0.020 4.546 4.527 -0.002 0.000 0.298 668 F C 2.520 178.280 175.800 -0.067 0.000 1.096 668 F CA 1.061 59.040 58.000 -0.035 0.000 1.275 668 F CB -0.487 38.499 39.000 -0.022 0.000 1.008 668 F HN 0.242 nan 8.300 nan 0.000 0.480 669 A N 0.367 123.175 122.820 -0.020 0.000 1.940 669 A HA -0.283 4.036 4.320 -0.002 0.000 0.219 669 A C 2.313 179.780 177.584 -0.194 0.000 1.176 669 A CA 2.039 54.002 52.037 -0.124 0.000 0.631 669 A CB -0.937 18.060 19.000 -0.004 0.000 0.814 669 A HN 0.507 nan 8.150 nan 0.000 0.446 670 K N -0.594 119.723 120.400 -0.138 0.000 2.026 670 K HA -0.217 4.102 4.320 -0.002 0.000 0.208 670 K C 1.344 177.808 176.600 -0.227 0.000 1.048 670 K CA 1.811 58.020 56.287 -0.130 0.000 0.929 670 K CB -0.224 32.236 32.500 -0.068 0.000 0.713 670 K HN 0.359 nan 8.250 nan 0.000 0.439 671 D N 0.697 120.897 120.400 -0.333 0.000 2.144 671 D HA -0.125 4.513 4.640 -0.002 0.000 0.200 671 D C 1.897 177.650 176.300 -0.911 0.000 0.978 671 D CA 0.800 54.457 54.000 -0.571 0.000 0.833 671 D CB -0.019 40.467 40.800 -0.523 0.000 0.961 671 D HN 0.204 nan 8.370 nan 0.000 0.470 672 I N 1.126 121.216 120.570 -0.800 0.000 2.315 672 I HA -0.189 3.980 4.170 -0.002 0.000 0.248 672 I C 2.096 178.022 176.117 -0.318 0.000 1.117 672 I CA 1.030 61.963 61.300 -0.611 0.000 1.404 672 I CB -0.649 37.035 38.000 -0.527 0.000 1.071 672 I HN 0.043 nan 8.210 nan 0.000 0.419 673 K N 0.268 120.523 120.400 -0.243 0.000 2.057 673 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 673 K C 2.354 178.906 176.600 -0.080 0.000 1.049 673 K CA 1.624 57.840 56.287 -0.117 0.000 0.931 673 K CB -0.220 32.227 32.500 -0.088 0.000 0.714 673 K HN 0.154 nan 8.250 nan 0.000 0.440 674 S N 0.318 115.944 115.700 -0.124 0.000 2.359 674 S HA -0.139 4.330 4.470 -0.002 0.000 0.224 674 S C 2.107 176.759 174.600 0.088 0.000 1.035 674 S CA 1.661 59.845 58.200 -0.027 0.000 1.018 674 S CB -0.561 62.619 63.200 -0.033 0.000 0.876 674 S HN 0.491 nan 8.310 nan 0.000 0.448 675 G N 1.482 110.312 108.800 0.051 0.000 2.446 675 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.217 675 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.217 675 G C 1.448 176.514 174.900 0.276 0.000 1.168 675 G CA 0.975 46.305 45.100 0.383 0.000 0.771 675 G HN 0.521 nan 8.290 nan 0.000 0.551 676 L N 0.731 122.034 121.223 0.133 0.000 2.083 676 L HA -0.081 4.258 4.340 -0.002 0.000 0.209 676 L C 3.199 180.167 176.870 0.163 0.000 1.083 676 L CA 1.158 56.089 54.840 0.151 0.000 0.752 676 L CB -0.323 41.799 42.059 0.104 0.000 0.899 676 L HN 0.181 nan 8.230 nan 0.000 0.433 677 S N -0.887 114.873 115.700 0.101 0.000 2.382 677 S HA -0.168 4.301 4.470 -0.002 0.000 0.228 677 S C 1.984 176.627 174.600 0.071 0.000 1.027 677 S CA 1.787 60.031 58.200 0.074 0.000 0.991 677 S CB -0.284 62.941 63.200 0.041 0.000 0.823 677 S HN 0.452 nan 8.310 nan 0.000 0.469 678 T N 0.611 115.193 114.554 0.047 0.000 2.821 678 T HA 0.005 4.354 4.350 -0.002 0.000 0.267 678 T C 1.066 175.749 174.700 -0.028 0.000 1.046 678 T CA 1.289 63.339 62.100 -0.083 0.000 1.139 678 T CB -0.390 68.284 68.868 -0.323 0.000 0.871 678 T HN 0.409 nan 8.240 nan 0.000 0.454 679 F N 0.724 120.603 119.950 -0.118 0.000 2.545 679 F HA -0.288 4.238 4.527 -0.002 0.000 0.690 679 F C 0.150 175.955 175.800 0.009 0.000 0.488 679 F CA 1.857 59.837 58.000 -0.034 0.000 0.791 679 F CB -0.451 38.514 39.000 -0.060 0.000 1.653 679 F HN 0.147 nan 8.300 nan 0.000 0.266 680 K N 0.138 120.456 120.400 -0.136 0.000 2.482 680 K HA 0.493 4.812 4.320 -0.002 0.000 0.251 680 K C -1.510 174.958 176.600 -0.220 0.000 0.936 680 K CA -0.685 55.556 56.287 -0.077 0.000 0.791 680 K CB 1.051 33.688 32.500 0.228 0.000 1.213 680 K HN -0.023 nan 8.250 nan 0.000 0.428 681 F N 5.639 125.661 119.950 0.119 0.000 2.377 681 F HA 0.232 4.758 4.527 -0.002 0.000 0.360 681 F C 1.109 177.001 175.800 0.155 0.000 1.147 681 F CA -0.457 57.593 58.000 0.084 0.000 1.170 681 F CB 0.565 39.554 39.000 -0.019 0.000 1.339 681 F HN 0.434 nan 8.300 nan 0.000 0.552 682 L N 1.665 123.014 121.223 0.210 0.000 2.376 682 L HA -0.130 4.208 4.340 -0.002 0.000 0.219 682 L C 1.843 178.866 176.870 0.255 0.000 1.133 682 L CA 0.542 55.547 54.840 0.274 0.000 0.816 682 L CB -0.339 41.752 42.059 0.053 0.000 0.933 682 L HN 0.518 nan 8.230 nan 0.000 0.449 683 D N 0.063 120.552 120.400 0.149 0.000 2.378 683 D HA -0.165 4.473 4.640 -0.002 0.000 0.227 683 D C 1.686 177.979 176.300 -0.010 0.000 1.012 683 D CA 0.583 54.627 54.000 0.073 0.000 0.905 683 D CB -0.092 40.747 40.800 0.065 0.000 0.895 683 D HN 0.236 nan 8.370 nan 0.000 0.532 684 R N -0.768 119.657 120.500 -0.125 0.000 2.320 684 R HA 0.191 4.530 4.340 -0.002 0.000 0.211 684 R C -0.364 175.523 176.300 -0.688 0.000 0.931 684 R CA -0.034 55.796 56.100 -0.451 0.000 1.071 684 R CB 0.038 29.897 30.300 -0.736 0.000 1.025 684 R HN 0.141 nan 8.270 nan 0.000 0.495 685 F N 0.469 120.439 119.950 0.032 0.000 2.467 685 F HA 0.437 4.963 4.527 -0.002 0.000 0.336 685 F C 0.430 176.244 175.800 0.023 0.000 1.123 685 F CA -1.377 56.662 58.000 0.065 0.000 0.964 685 F CB 1.214 40.302 39.000 0.146 0.000 1.136 685 F HN -0.115 nan 8.300 nan 0.000 0.447 686 A N 2.599 125.520 122.820 0.168 0.000 2.445 686 A HA 0.600 4.919 4.320 -0.002 0.000 0.242 686 A C -0.497 177.140 177.584 0.089 0.000 1.075 686 A CA -0.245 51.852 52.037 0.101 0.000 0.777 686 A CB 0.310 19.364 19.000 0.089 0.000 1.013 686 A HN 0.592 nan 8.150 nan 0.000 0.493 687 V N 2.688 122.627 119.914 0.041 0.000 2.735 687 V HA 0.242 4.361 4.120 -0.002 0.000 0.310 687 V C -0.486 175.619 176.094 0.018 0.000 1.061 687 V CA -0.989 61.316 62.300 0.009 0.000 0.913 687 V CB 1.979 33.779 31.823 -0.038 0.000 1.005 687 V HN 0.957 nan 8.190 nan 0.000 0.428 688 D N 3.031 123.446 120.400 0.026 0.000 2.449 688 D HA 0.221 4.860 4.640 -0.002 0.000 0.236 688 D C 0.045 176.357 176.300 0.020 0.000 1.149 688 D CA 0.483 54.503 54.000 0.033 0.000 0.878 688 D CB 1.395 42.226 40.800 0.051 0.000 1.198 688 D HN 0.602 nan 8.370 nan 0.000 0.446 689 E N 0.000 120.212 120.200 0.020 0.000 2.725 689 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 689 E CA 0.000 56.408 56.400 0.013 0.000 0.976 689 E CB 0.000 29.707 29.700 0.011 0.000 0.812 689 E HN 0.000 nan 8.360 nan 0.000 0.440